SCHEMBL2631316

SCHEMBL2631316

CCc1cccnc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR1A P08908 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
COMT P21964 1/20 0.34
SSTR4 P31391 2/20 0.34
SLC13A5 Q86YT5 2/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19696539 0.84 GABRA1 (0.39) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL19696536 0.84 GABRA1 (0.39) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL28965588 0.82 DPP4 (0.42) KDM4EALDH1A1MAPTCYP1A2TRPV1
SCHEMBL15830967 0.82 KMT2A (0.44) KDM4EALDH1A1MAPTCYP1A2TRPV1
SCHEMBL12818788 0.82 CD38 (0.41) GABRA1GABRB2KDM4EALDH1A1HTR1A
SCHEMBL26541056 0.79 SLC13A5 (0.35) KDM4EALDH1A1CYP1A2TRPV1SMN1; SMN2
SCHEMBL17549762 0.79 CYP2A6 (0.42) ALDH1A1TAAR1TRPV1LMNA
SCHEMBL25791602 0.79 KDM4E (0.45) KDM4EMAPTCYP1A2LMNASMN1; SMN2
SCHEMBL23336073 0.76 LMNA (0.39) KDM4EALDH1A1MAPTCYP1A2TRPV1
SCHEMBL20920986 0.75 GABRA1 (0.37) GABRA1GABRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-04-20 US disclosed
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2023-02-21 US disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 US disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7714002-B2 Carbocycle and heterocycle antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-7427682-B2 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-23 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 GABRA1 2015/4885GABRB2 2122/4885KDM4E 1880/4885
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R GABRA1 366/4885GABRB2 1220/4885KDM4E 4245/4885
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 GABRA1 4447/4885GABRB2 4135/4885KDM4E 608/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK GABRA1 1656/4885GABRB2 2694/4885KDM4E 595/4885
US-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF ALK, NOTUM, WEE1 GABRA1 842/4885GABRB2 1539/4885KDM4E 913/4885
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF P2RX4, P2RX3, P2RX2 GABRA1 1422/4885GABRB2 1459/4885KDM4E 4466/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 GABRA1 293/4885GABRB2 876/4885KDM4E 4734/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI GABRA1 3300/4885GABRB2 2842/4885KDM4E 1691/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 GABRA1 1949/4885GABRB2 2568/4885KDM4E 902/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C GABRA1 100/4885GABRB2 92/4885KDM4E 2470/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 GABRA1 3600/4885GABRB2 1221/4885KDM4E 2039/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A GABRA1 85/4885GABRB2 158/4885KDM4E 894/4885
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof ALK, NOTUM, WEE1 GABRA1 842/4885GABRB2 1539/4885KDM4E 913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.