SCHEMBL103834

SCHEMBL103834

Cc1ccc(C2=CCNCC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SIGMAR1 Q99720 2/20 0.44
WNT3A P56704 1/20 0.43
HTR2C P28335 5/20 0.43
HRH3 Q9Y5N1 1/20 0.42
QDPR P09417 2/20 0.42
METAP2 P50579 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL27849940 0.80 SIGMAR1 (0.44) SIGMAR1WNT3AHTR2CHRH3QDPR
SCHEMBL30851448 0.80 HTR2C (0.59) SIGMAR1WNT3AHTR2CHRH3QDPR
SCHEMBL29936063 0.80 SIGMAR1 (0.44) SIGMAR1WNT3AHTR2CHRH3QDPR
SCHEMBL171607 0.80 HTR2C (0.59) SIGMAR1WNT3AHTR2CHRH3QDPR
SCHEMBL1749915 0.80 SIGMAR1 (0.59) SIGMAR1HTR2CHRH3QDPRMAPT
SCHEMBL2174403 0.80 HRH3 (0.46) SIGMAR1WNT3AHTR2CHRH3QDPR
SCHEMBL10068060 0.80 QDPR (0.59) SIGMAR1WNT3AHTR2CHRH3QDPR
SCHEMBL171525 0.80 SIGMAR1 (0.44) SIGMAR1WNT3AHTR2CHRH3QDPR
SCHEMBL13490633 0.80 SIGMAR1 (0.44) SIGMAR1WNT3AHTR2CHRH3QDPR
SCHEMBL171119 0.80 HTR6 (0.48) SIGMAR1HTR2CHRH3QDPRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ANTABIO SAS (FR) 2016-09-22 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20090299071-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF FUJIFILM FINECHEMICALS CO., LTD. (JP) 2009-12-03 US disclosed
EP-2128155-A1 Triazole derivative or salt thereof Fujifilm Finechemicals Co. Ltd. (JP) 2009-12-02 EP 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-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
EP-1657240-A1 PYRIDYLTETRAHYDROPYRIDINES, PYRIDYLPIPERIDINES, AND PROCESS FOR THE PRODUCTION OF BOTH FUJIFILM FINECHEMICALS CO., LTD. (JP) 2006-05-17 EP 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 (4 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 CCR1 1133/4885CCR5 221/4885CCR8 1506/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CCR1 1133/4885CCR5 232/4885CCR8 1550/4885
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ME1, TALDO1, COASY CCR1 736/4885CCR5 2345/4885CCR8 2293/4885
US-20090299071-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HDAC3, JAK2, STAT3 CCR1 452/4885CCR5 1069/4885CCR8 711/4885

“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.