SCHEMBL171607

SCHEMBL171607

Brc1ccc(C2=CCNCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.59
SIGMAR1 Q99720 2/20 0.44
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
QDPR P09417 2/20 0.42
WNT3A P56704 1/20 0.39
SPR P35270 1/20 0.38
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL30851448 1.00 HTR2C (0.59) HTR2CSIGMAR1HTR2AHTR7HTR6
SCHEMBL171420 0.88 HTR2C (0.66) HTR2CSIGMAR1HTR2AHTR7HTR6
SCHEMBL171525 0.80 SIGMAR1 (0.44) HTR2CSIGMAR1HTR7HTR6HRH3
SCHEMBL29936063 0.80 SIGMAR1 (0.44) HTR2CSIGMAR1HTR7HTR6HRH3
SCHEMBL27849940 0.80 SIGMAR1 (0.44) HTR2CSIGMAR1HRH3QDPRWNT3A
SCHEMBL1749915 0.80 SIGMAR1 (0.59) HTR2CSIGMAR1HTR2AHTR7HTR6
SCHEMBL10068060 0.80 QDPR (0.59) HTR2CSIGMAR1HRH3QDPRWNT3A
SCHEMBL2174403 0.80 HRH3 (0.46) HTR2CSIGMAR1HTR2AHTR7HTR6
SCHEMBL103834 0.80 CCR1 (0.48) HTR2CSIGMAR1HTR2AHTR6HRH3
SCHEMBL13490633 0.80 SIGMAR1 (0.44) HTR2CSIGMAR1HRH3QDPRWNT3A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HTR2C 399/4885SIGMAR1 1466/4885HTR2A 177/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 HTR2C 391/4885SIGMAR1 1270/4885HTR2A 160/4885

“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.