SCHEMBL171290

SCHEMBL171290

CCN1CCC(c2ccc(C)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.52
DRD2 P14416 5/20 0.52
SYK P43405 1/20 0.44
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM5A P29375 1/20 0.39
MAP4K4 O95819 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD3 P35462 3/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13490653 0.84 MAP4K4 (0.48) DRD4DRD2KDM5AMAP4K4PDE10A
SCHEMBL23648347 0.84 SYK (0.43) DRD4DRD2SYKALDH1A1KDM5A
SCHEMBL171089 0.84 ALDH1A1 (0.43) DRD4DRD2SYKALDH1A1OPRM1
SCHEMBL827646 0.82 CCR1 (0.52) DRD4DRD2ALDH1A1OPRM1OPRL1
SCHEMBL14186232 0.81 DRD4 (0.46) DRD4DRD2SYKOPRM1OPRL1
SCHEMBL169363 0.80 DRD2 (0.60) DRD4DRD2DRD3MEN1KMT2A
Ammonia Solution, Strong SCHEMBL17820158 0.80 CCR1 (0.50) DRD4DRD2ALDH1A1OPRM1OPRL1
SCHEMBL27543939 0.79 DRD4 (0.45) DRD4DRD2OPRM1OPRL1CCR1
SCHEMBL24681892 0.79 DRD4 (0.45) DRD4DRD2OPRM1OPRL1CCR1
SCHEMBL23331881 0.78 CCR1 (0.48) DRD4DRD2OPRM1OPRL1CCR1

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 7 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
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-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 DRD4 112/4885DRD2 130/4885SYK 3834/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 DRD4 107/4885DRD2 112/4885SYK 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.