SCHEMBL3878058

SCHEMBL3878058

CCc1cccc(-c2cc(N3CCN(c4ncccc4C)C[C@H]3C)nc(N3CCOCC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.43
MTOR P42345 2/20 0.42
TRPV1 Q8NER1 4/20 0.41
PIK3CB P42338 4/20 0.39
PIK3CG P48736 4/20 0.39
KCNH2 Q12809 1/20 0.38
AOC3 Q16853 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 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
SCHEMBL3878571 0.92 TRPV1 (0.42) PIK3CAMTORTRPV1ACACBACACA
SCHEMBL3879897 0.91 TRPV1 (0.44) PIK3CAMTORTRPV1PIK3CBPIK3CG
SCHEMBL3887535 0.89 TRPV1 (0.44) PIK3CAMTORTRPV1
SCHEMBL3884304 0.89 PIK3CA (0.41) PIK3CAMTORPIK3CBPIK3CGKCNH2
SCHEMBL3878696 0.89 ACACB (0.43) PIK3CAMTORTRPV1PIK3CBPIK3CG
SCHEMBL3883895 0.88 PIK3CA (0.45) PIK3CAMTORTRPV1PIK3CBPIK3CG
SCHEMBL3879904 0.87 TRPV1 (0.43) PIK3CAMTORTRPV1PIK3CBPIK3CG
SCHEMBL3888346 0.87 PIK3CA (0.43) PIK3CAMTORTRPV1PIK3CBPIK3CG
SCHEMBL3888123 0.87 PIK3CA (0.43) PIK3CAMTORTRPV1PIK3CBPIK3CG
SCHEMBL3879034 0.87 CYP1A2 (0.51) PIK3CAMTORTRPV1

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 PIK3CA 1107/4885MTOR 2949/4885TRPV1 244/4885

“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.