SCHEMBL171089

SCHEMBL171089

CCN1CCC(c2ccc(Br)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
DRD4 P21917 3/20 0.39
DRD2 P14416 3/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
GBA1 P04062 1/20 0.37
HRH3 Q9Y5N1 2/20 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
SCHEMBL171290 0.84 DRD4 (0.52) ALDH1A1SYKOPRM1OPRL1DRD4
SCHEMBL27666170 0.84 DRD4 (0.45) ALDH1A1OPRM1OPRL1DRD4DRD2
SCHEMBL10112188 0.82 OPRM1 (0.42) ALDH1A1SYKOPRM1OPRL1DUSP3
SCHEMBL29601235 0.82 OPRM1 (0.42) ALDH1A1SYKOPRM1OPRL1DUSP3
SCHEMBL23648347 0.81 SYK (0.43) ALDH1A1SMN1; SMN2SYKDRD4DRD2
SCHEMBL31127683 0.80 DRD4 (0.39) ALDH1A1OPRM1OPRL1DRD4DRD2
SCHEMBL13490548 0.80 DRD4 (0.52) ALDH1A1DUSP3PTPN5PTPN11DRD4
SCHEMBL30600078 0.79 OPRM1 (0.46) ALDH1A1SMN1; SMN2OPRM1OPRL1POLB
SCHEMBL588122 0.79 OPRM1 (0.46) ALDH1A1SMN1; SMN2OPRM1OPRL1POLB
SCHEMBL3072050 0.78 OPRM1 (0.45) OPRM1OPRL1HRH3KDM4AKDM4B

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 8 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-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 ALDH1A1 876/4885SMN1; SMN2 4714/4885SYK 3834/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 ALDH1A1 950/4885SMN1; SMN2 4779/4885SYK 3955/4885

“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.