SCHEMBL171533

SCHEMBL171533

Sc1nc(C2=CCCN(Cc3ccccc3)C2)ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
DRD4 P21917 5/20 0.37
DRD3 P35462 5/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRA2 P47869 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13490470 0.86 DRD2 (0.42) DRD2DRD4DRD3SIGMAR1CYP2D6
SCHEMBL13592727 0.80 SIGMAR1 (0.40) DRD2DRD4DRD3SIGMAR1CYP2D6
SCHEMBL10640414 0.77 SIGMAR1 (0.52) DRD4SIGMAR1ACHE
SCHEMBL13490646 0.75 LMNA (0.41) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL13490488 0.74 LMNA (0.38) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL13490484 0.73 KMT2A (0.39) DRD2DRD4DRD3SIGMAR1KMT2A
SCHEMBL13490577 0.72 LMNA (0.47) DRD2DRD4DRD3SIGMAR1ACHE
SCHEMBL13490647 0.72 DRD2 (0.51) DRD2DRD4DRD3ACHE
SCHEMBL169524 0.72 ALDH1A1 (0.39) SIGMAR1CYP2D6ALDH1A1MAPTHPGD
SCHEMBL169427 0.71 TRPV6 (0.37) SIGMAR1KMT2AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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 DRD2 130/4885DRD4 112/4885DRD3 448/4885

“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.