SCHEMBL3877072

SCHEMBL3877072

C[C@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc(N2CCOCC2)nc(-c2cccc(Cl)c2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.42
RBP4 P02753 1/20 0.40
HSD11B1 P28845 4/20 0.39
TRPA1 O75762 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 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
SCHEMBL3881376 0.90 TRPV1 (0.46) TRPV1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL3877894 0.89 HSD11B1 (0.47) TRPV1HSD11B1TRPA1MEN1USP2
SCHEMBL13761246 0.83 TRPV1 (0.45) TRPV1RBP4HSD11B1TRPA1NPSR1
SCHEMBL3877898 0.83 TRPV1 (0.45) TRPV1RBP4HSD11B1TRPA1NPSR1
SCHEMBL3884819 0.81 KDM4E (0.46) TRPV1HSD11B1KDM4E
SCHEMBL3891317 0.81 KDM4E (0.46) TRPV1MEN1USP2CASP1BRCA1
SCHEMBL3891483 0.80 HSD11B1 (0.48) TRPV1RBP4HSD11B1TRPA1PIK3CA
SCHEMBL3880570 0.79 KDM4E (0.48) TRPA1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL3878801 0.79 KDM4E (0.48) TRPV1KDM4E
SCHEMBL3889211 0.77 TRPV1 (0.46) TRPV1RBP4HSD11B1NPSR1KDM4E

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 TRPV1 244/4885RBP4 2234/4885HSD11B1 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.