SCHEMBL3879636

SCHEMBL3879636

COCc1nc(-c2cccc(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.49
TRPA1 O75762 2/20 0.49
HSD11B1 P28845 4/20 0.48
RBP4 P02753 3/20 0.45
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
CDK4 P11802 1/20 0.42
CCND3 P30281 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL3879528 0.89 TRPA1 (0.51) TRPV1TRPA1HSD11B1RBP4
SCHEMBL3880078 0.88 HSD11B1 (0.51) TRPV1TRPA1HSD11B1RBP4CDK4
SCHEMBL14613836 0.88 HSD11B1 (0.51) TRPV1TRPA1HSD11B1CDK4CCND3
SCHEMBL3877200 0.88 HSD11B1 (0.51) TRPV1TRPA1HSD11B1CDK4CCND3
SCHEMBL28760130 0.86 HSD11B1 (0.49) TRPV1TRPA1HSD11B1CDK4CCND3
SCHEMBL3878973 0.86 HSD11B1 (0.47) TRPV1TRPA1HSD11B1RBP4GALR2
SCHEMBL13766131 0.86 HSD11B1 (0.47) TRPV1TRPA1HSD11B1RBP4GALR2
SCHEMBL3879429 0.85 HSD11B1 (0.53) TRPV1TRPA1HSD11B1RBP4GALR2
SCHEMBL3883998 0.85 TRPV1 (0.55) TRPV1TRPA1HSD11B1RBP4GALR2
SCHEMBL3880715 0.84 HSD11B1 (0.44) TRPV1TRPA1HSD11B1RBP4GALR2

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 9 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
CN-1823057-A Biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2006-08-23 CN disclosed
EP-1644358-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 EP disclosed
WO-2005007648-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO 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 244/4885TRPA1 714/4885HSD11B1 3915/4885

“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.