SCHEMBL12848422

SCHEMBL12848422

Cc1cc(C(C)C)ncc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
LMNA P02545 5/20 0.33
ACHE P22303 1/20 0.32
HTT P42858 1/20 0.32
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
CARM1 Q86X55 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL18068087 0.84 NOS3 (0.33) NOS3NOS1NOS2LMNAACHE
SCHEMBL12895995 0.83 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1
SCHEMBL12796016 0.80 CA1 (0.33) NOS3NOS1NOS2CA1CA2
SCHEMBL12749938 0.79 NOS3 (0.55) NOS3NOS1NOS2
SCHEMBL2611021 0.78 UHRF1 (0.50) LMNAACHETRPA1CHRM1SLC6A2
SCHEMBL18068021 0.77 GABRA1 (0.35) LMNAACHEP2RX3P2RX2
SCHEMBL18068022 0.77 GABRA1 (0.35) LMNAACHEP2RX3P2RX2
SCHEMBL24802281 0.77 PSMD14 (0.32) NOS3NOS1NOS2
SCHEMBL12303999 0.77 UHRF1 (0.56) NOS3NOS1NOS2LMNAPOLB
SCHEMBL22725593 0.77 NOS3 (0.32) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
WO-2024123966-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
WO-2024028363-A1 HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2024-02-08 WO disclosed
WO-2024028364-A1 ARYL-TRIAZOLYL AND RELATED GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2024-02-08 WO disclosed
WO-2024028365-A1 SUBSTITUTED PYRIDONE GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2024-02-08 WO disclosed
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases INSILICO MEDICINE IP LIMITED (HK) 2023-12-05 US disclosed
WO-2023230026-A1 PIPERIDINYL-METHYLPURINE BENZENES AND RELATED COMPOUNDS AND THEIR USE IN TREATING DISEASES AND CONDITIONS K36 THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 US disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
WO-2022187518-A1 SUBSTITUTED 4-PIPERIDINYL-IMIDAZO[4,5-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-09-09 WO disclosed
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-05-20 US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 US disclosed
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 US disclosed
US-9975896-B2 Inhibitors of transcription factors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-22 US disclosed
US-20180030031-A1 COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS Piramal Enterprises Limited (IN) 2018-02-01 US disclosed
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
US-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-16 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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 (10 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-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 NOS3 3453/4885NOS1 4527/4885NOS2 4450/4885
US-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF BRD4, BRPF3, EP300 NOS3 3644/4885NOS1 3859/4885NOS2 3665/4885
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 NOS3 2828/4885NOS1 1962/4885NOS2 3964/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL NOS3 4492/4885NOS1 4507/4885NOS2 4343/4885
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, NAT1, NCOA1 NOS3 2711/4885NOS1 1823/4885NOS2 3881/4885
US-20180030031-A1 COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS GPR180, GPR68, GPR88 NOS3 844/4885NOS1 743/4885NOS2 677/4885
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases QPCT, QPCTL, BCAT1 NOS3 3898/4885NOS1 3424/4885NOS2 2708/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 NOS3 4121/4885NOS1 3843/4885NOS2 3301/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 NOS3 4121/4885NOS1 3843/4885NOS2 3301/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NOS3 248/4885NOS1 335/4885NOS2 211/4885

“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.