SCHEMBL3880046

SCHEMBL3880046

Cc1ccc(-c2cc(N3CCN(c4ncccc4C#N)C[C@H]3C)nc(N3CCOCC3)n2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.40
PIK3CA P42336 4/20 0.40
TRPV1 Q8NER1 3/20 0.39
PIK3CD O00329 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MTOR P42345 1/20 0.36
PIK3R1 P27986 1/20 0.36
MAP3K12 Q12852 1/20 0.36

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
SCHEMBL3880985 0.94 DGAT1 (0.41) GRM1PIK3CAPIK3CDMTORPIK3R1
SCHEMBL3878243 0.90 GRM1 (0.40) GRM1PIK3CAPIK3CDALDH1A1MAPT
SCHEMBL3879904 0.90 TRPV1 (0.43) PIK3CATRPV1MAPTKDM4ETDP1
SCHEMBL3880667 0.89 MTOR (0.44) GRM1PIK3CATRPV1PIK3CDALDH1A1
SCHEMBL3878569 0.89 PIK3CD (0.42) GRM1PIK3CAPIK3CDALDH1A1MAPT
SCHEMBL3877311 0.88 TRPV1 (0.43) GRM1PIK3CATRPV1PIK3CDALDH1A1
SCHEMBL3888782 0.88 PANK3 (0.42) GRM1PIK3CATRPV1PIK3CDALDH1A1
SCHEMBL3876031 0.88 GRM1 (0.40) GRM1PIK3CAPIK3CDALDH1A1MAPT
SCHEMBL3877707 0.88 TRPV1 (0.52) PIK3CATRPV1MTORMAP3K12
SCHEMBL3877309 0.87 CYP1A2 (0.49) PIK3CATRPV1ALDH1A1MAPTKDM4E

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 4 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-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 GRM1 609/4885PIK3CA 1107/4885TRPV1 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.