SCHEMBL3889401

SCHEMBL3889401

Cc1cc(-c2cc(N3CCN(c4nccnc4Cl)C[C@H]3C)nc(Cl)n2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.40
SMO Q99835 1/20 0.37
DGAT1 O75907 1/20 0.36
GRM5 P41594 3/20 0.35
AKT1 P31749 1/20 0.34
MALT1 Q9UDY8 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
SCHEMBL13761506 0.92 TRPV1 (0.38) TRPV1SMODGAT1MALT1
SCHEMBL3887740 0.92 TRPV1 (0.38) TRPV1SMODGAT1MALT1
SCHEMBL3884028 0.91 MALT1 (0.40) TRPV1SMOMALT1
SCHEMBL3879468 0.91 TRPV1 (0.38) TRPV1SMOMALT1
SCHEMBL3885538 0.91 MALT1 (0.40) TRPV1SMOMALT1
SCHEMBL13761549 0.91 MALT1 (0.40) TRPV1SMOMALT1
SCHEMBL3876440 0.90 SMO (0.41) TRPV1SMODGAT1
SCHEMBL3876436 0.90 SMO (0.41) TRPV1SMODGAT1
SCHEMBL14583746 0.90 TRPV1 (0.45) TRPV1SMOGRM5
SCHEMBL3876784 0.89 TRPV1 (0.38) TRPV1SMODGAT1GRM5AKT1

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 6 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
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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 244/4885SMO 1465/4885DGAT1 4503/4885

“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.