SCHEMBL1171191

SCHEMBL1171191

c1ccc([C]2CNCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.37
HTR2C P28335 2/20 0.37
SIGMAR1 Q99720 1/20 0.35
PNMT P11086 1/20 0.34
CD44 P16070 1/20 0.34
MAOB P27338 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR7 P34969 1/20 0.33
APEX1 P27695 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9157680 0.78 CYP2A6 (0.45) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
Biphenyl SCHEMBL27962710 0.76 KMT2A (0.37) PRCPHTR2CSIGMAR1DRD2ALDH1A1
SCHEMBL4723655 0.71 NISCH (0.41) SIGMAR1HTR2AHTR7NPC1RAB9A
SCHEMBL3173611 0.70 HTR7 (0.44) HTR2CSIGMAR1DRD2HTR2AHTR7
SCHEMBL3281172 0.70 PRCP (0.51) PRCPPNMTCD44MAOBDRD2
Hydrochloric Acid SCHEMBL3283120 0.69 PRCP (0.50) PRCPPNMTCD44MAOBDRD2
Hydrochloric Acid SCHEMBL3281306 0.69 CD274 (0.43) SIGMAR1HTR7NPC1
SCHEMBL1534886 0.67 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL498076 0.67 ATM (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1
Benzene SCHEMBL29043008 0.67 TSHR (0.33) APEX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US claimed
WO-2001096339-A1 NOVEL TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-20 WO claimed
WO-2024148184-A1 COMPOUNDS AND PROCESSES FOR THE PREPARATION OF JAK INHIBITORS AERIE PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
EP-4363058-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF Aerie Pharmaceuticals, Inc. (US) 2024-05-08 EP disclosed
CN-117642395-A Azetidinyl pyrimidines and their use 爱瑞制药公司 2024-03-01 CN disclosed
US-20240002392-A1 Azetidinyl Pyrimidines and Uses Thereof ALCON INC. (CH) 2024-01-04 US disclosed
WO-2024006916-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF AS JAK INHIBITORS AERIE PHARMACEUTICALS, INC. (US) 2024-01-04 WO disclosed
WO-2023279105-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF AERIE PHARMACEUTICALS, INC. (US) 2023-01-05 WO disclosed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-8779202-B2 Compositions and methods for the treatment of giardiasis GEORGETOWN UNIVERSITY (US) 2014-07-15 US disclosed
US-20140155493-A1 BIS-AROMATIC ANTICANCER AGENTS THE UAB RESEARCH FOUNDATION (US) 2014-06-05 US disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 WO disclosed
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US disclosed
WO-2001096339-A1 NOVEL TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-20 WO disclosed
US-6051572-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-18 US disclosed
WO-1997016445-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-09 WO 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 (3 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-20240002392-A1 Azetidinyl Pyrimidines and Uses Thereof JAK2, JAK1, JAK3 PRCP 1743/4885HTR2C 2919/4885SIGMAR1 4150/4885
US-20140155493-A1 BIS-AROMATIC ANTICANCER AGENTS TP53, APC, OAT PRCP 2111/4885HTR2C 4224/4885SIGMAR1 2566/4885
US-20030186978-A1 Novel telomerase inhibitors TERT, TERF2IP, TERF2 PRCP 888/4885HTR2C 4823/4885SIGMAR1 4771/4885

“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.