SCHEMBL12277147

SCHEMBL12277147

CCOC(=O)c1cnn(C(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.55
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL29648916 0.90 ACHE (0.47) ACHEADORA3ADORA2AADORA1ALDH1A1
SCHEMBL22036373 0.88 ACHE (0.62) ACHECYP2C9CYP2C19CA12CA1
SCHEMBL1197941 0.86 CYP2C9 (0.44) ACHECYP2C9CYP2C19CA12CA1
SCHEMBL3380597 0.86 ACHE (0.50) ACHECYP2C9CYP2C19CA12CA1
SCHEMBL29014777 0.83 ACHE (0.48) ACHECYP2C9CYP2C19CA12CA1
SCHEMBL31352301 0.83 FDFT1 (0.42) ACHECYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL1198561 0.83 ACHE (0.41) ACHEADORA3ADORA2AADORA1CYP2C9
SCHEMBL16050383 0.82 ACHE (0.50) ACHEALDH1A1SMN1; SMN2MAPT
SCHEMBL23212254 0.82 CYP1A2 (0.55) CYP2C9CYP2C19ALDH1A1SMN1; SMN2MAPT
SCHEMBL12913218 0.82 CYP1A2 (0.55) CYP2C9CYP2C19ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
CN-114761397-B Benzodiazepine derivatives for the treatment of Respiratory Syncytial Virus (RSV) infection 辉瑞公司 2024-11-05 CN disclosed
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME NIHON NOHYAKU CO., LTD. (JP) 2023-04-20 US disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2021079121-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING A RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTION ReViral Limited (GB) 2021-04-29 WO disclosed
WO-2021079121-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING A RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTION ReViral Limited (GB) 2021-04-29 WO disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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 (8 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E ACHE 1360/4885ADORA3 1659/4885ADORA2A 3335/4885
US-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 ACHE 2756/4885ADORA3 4345/4885ADORA2A 4681/4885
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME CBR3, XDH, OXA1L ACHE 310/4885ADORA3 849/4885ADORA2A 2466/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E ACHE 1342/4885ADORA3 1601/4885ADORA2A 3299/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ACHE 4488/4885ADORA3 4686/4885ADORA2A 4780/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E ACHE 1342/4885ADORA3 1601/4885ADORA2A 3299/4885
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A ACHE 753/4885ADORA3 2272/4885ADORA2A 1661/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 ACHE 3253/4885ADORA3 34/4885ADORA2A 103/4885

“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.