SCHEMBL3880628

SCHEMBL3880628

CCOc1cccc(-c2cc(N3CCN(c4ncccc4Cl)C[C@H]3C)nc(N3CCOCC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.44
PIK3CA P42336 6/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3890136 0.92 TRPV1 (0.53) TRPV1PIK3CAHSD17B10L3MBTL1CYP1A2
SCHEMBL3878696 0.91 ACACB (0.43) TRPV1PIK3CAHSD17B10L3MBTL1CYP1A2
SCHEMBL3884783 0.90 TRPV1 (0.43) TRPV1PIK3CAHSD17B10L3MBTL1CYP1A2
SCHEMBL3884913 0.89 CYP1A2 (0.46) TRPV1PIK3CAHSD17B10L3MBTL1CYP1A2
SCHEMBL3879897 0.89 TRPV1 (0.44) TRPV1PIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3879649 0.89 TRPV1 (0.50) TRPV1PIK3CAMTOR
SCHEMBL3880037 0.89 TRPV1 (0.50) TRPV1PIK3CAMTOR
SCHEMBL3882030 0.89 CYP1A2 (0.47) TRPV1PIK3CAHSD17B10L3MBTL1CYP1A2
SCHEMBL3877163 0.88 TRPV1 (0.49) TRPV1PIK3CAHSD17B10L3MBTL1TSHR
SCHEMBL3878595 0.87 TRPV1 (0.45) TRPV1PIK3CAHSD17B10MAPK1KDM4E

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
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG TRPV1 244/4885PIK3CA 1107/4885HSD17B10 3040/4885

“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.