SCHEMBL171370

SCHEMBL171370

c1ccc(C2CCCNC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.46
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
HPGDS O60760 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL11492677 1.00 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1HPGDS
Hydrochloric Acid SCHEMBL16936637 0.98 CHEK1 (0.45) CHEK1CCNA2CDK2CCNA1HPGDS
SCHEMBL166955 0.89 SLC18A3 (0.42) HPGDS
SCHEMBL3923917 0.89 SLC18A3 (0.42) HPGDS
SCHEMBL14868820 0.89 SLC18A3 (0.42) HPGDS
SCHEMBL3921393 0.89 SLC18A3 (0.42) HPGDS
SCHEMBL29889405 0.89 SLC18A3 (0.42) HPGDS
Hydrochloric Acid SCHEMBL3972091 0.88 SLC18A3 (0.41) HPGDSHTR2C
SCHEMBL10651872 0.86 SLC18A3 (0.44) HTR2C
Pyridine SCHEMBL28612805 0.83 HTR1A (0.44) HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
EP-4618755-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2025-09-24 EP disclosed
WO-2024107746-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES (US) 2024-05-23 WO disclosed
EP-3596061-B1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER ARGONAUT THERAPEUTICS LTD (GB) 2023-09-06 EP disclosed
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN UNIV OREGON HEALTH & SCIENCE (US) 2023-06-08 US disclosed
US-20200325128-A1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER Argonaut Therapeutics Limited (GB) 2020-10-15 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-9708336-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
EP-2834238-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER (US) 2017-02-01 EP disclosed
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-17 US disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 US disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 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 (9 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 CHEK1 3894/4885CCNA2 2061/4885CDK2 2355/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 CHEK1 3894/4885CCNA2 2061/4885CDK2 2355/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CHEK1 3330/4885CCNA2 3897/4885CDK2 1598/4885
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction CYP19A1, SHBG, CYP17A1 CHEK1 2744/4885CCNA2 3032/4885CDK2 2826/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 CHEK1 4035/4885CCNA2 2209/4885CDK2 2440/4885
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 CHEK1 2906/4885CCNA2 4231/4885CDK2 1889/4885
US-20200325128-A1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER PRMT5, PRMT6, PRMT1 CHEK1 408/4885CCNA2 1426/4885CDK2 975/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK CHEK1 4044/4885CCNA2 2630/4885CDK2 715/4885
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MGAM, MGAM2, GAA CHEK1 3890/4885CCNA2 4265/4885CDK2 3470/4885

“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.