SCHEMBL3879897

SCHEMBL3879897

CCc1cccc(-c2cc(N3CCN(c4ncccc4Cl)C[C@H]3C)nc(N3CCOCC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.44
PIK3CA P42336 6/20 0.43
MTOR P42345 4/20 0.42
AOC3 Q16853 1/20 0.39
PIK3CB P42338 3/20 0.38
PIK3CG P48736 3/20 0.38
KCNH2 Q12809 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
SCHEMBL3880879 0.92 TRPV1 (0.45) TRPV1PIK3CAMTOR
SCHEMBL3878058 0.91 PIK3CA (0.43) TRPV1PIK3CAMTORAOC3PIK3CB
SCHEMBL3879649 0.90 TRPV1 (0.50) TRPV1PIK3CAMTOR
SCHEMBL3880037 0.90 TRPV1 (0.50) TRPV1PIK3CAMTOR
SCHEMBL3877163 0.89 TRPV1 (0.49) TRPV1PIK3CAMTOR
SCHEMBL3880628 0.89 TRPV1 (0.44) TRPV1PIK3CAMTORPIK3CBPIK3CG
SCHEMBL3878595 0.89 TRPV1 (0.45) TRPV1PIK3CAMTOR
SCHEMBL3887535 0.88 TRPV1 (0.44) TRPV1PIK3CAMTOR
SCHEMBL3884304 0.88 PIK3CA (0.41) PIK3CAMTORPIK3CBPIK3CGKCNH2
SCHEMBL3890136 0.87 TRPV1 (0.53) TRPV1PIK3CAMTOR

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 1107/4885MTOR 2949/4885

“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.