SCHEMBL171676

SCHEMBL171676

N#Cc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.49
DRD3 P35462 9/20 0.49
DRD2 P14416 8/20 0.49
HTR1A P08908 2/20 0.45
HTR2A P28223 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM1 P11229 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL105201 0.83 DRD4 (0.53) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL2395626 0.82 DRD4 (0.52) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL171316 0.81 DRD4 (0.53) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL169482 0.81 DRD4 (0.52) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL171672 0.81 DRD4 (0.52) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL13490527 0.79 SIGMAR1 (0.54) DRD4DRD3DRD2HTR1AOPRM1
SCHEMBL171060 0.79 DRD2 (0.43) DRD4DRD3DRD2CHRM1HRH3
SCHEMBL6969008 0.78 DRD4 (0.61) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL30893617 0.78 PARP1 (0.49) DRD4DRD3DRD2
SCHEMBL13490525 0.78 DRD4 (0.48) DRD4DRD3DRD2HTR1AHTR2A

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 5 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-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 112/4885DRD3 448/4885DRD2 130/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 DRD4 107/4885DRD3 407/4885DRD2 112/4885

“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.