SCHEMBL3881376

SCHEMBL3881376

C[C@H]1CN(c2ncccc2Cl)CCN1c1nc(N2CCOCC2)nc(-c2cccc(Cl)c2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.46
PDE4D Q08499 1/20 0.39
MTOR P42345 5/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 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
SCHEMBL3877072 0.90 TRPV1 (0.42) TRPV1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL3880570 0.89 KDM4E (0.48) PDE4DMTORPIK3CAPIK3CDPIK3CB
SCHEMBL3879649 0.82 TRPV1 (0.50) TRPV1MTORPIK3CA
SCHEMBL3880037 0.82 TRPV1 (0.50) TRPV1MTORPIK3CA
SCHEMBL3879359 0.79 PDE4D (0.46) TRPV1PDE4DMTORPIK3CAPIK3CD
SCHEMBL13761529 0.79 PDE4D (0.46) TRPV1PDE4DMTORPIK3CAPIK3CD
SCHEMBL3877894 0.78 HSD11B1 (0.47) TRPV1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL3881506 0.78 TRPV1 (0.45) TRPV1MTORPIK3CA
SCHEMBL3877163 0.76 TRPV1 (0.49) TRPV1MTORPIK3CAKDM4EL3MBTL1
SCHEMBL4029494 0.75 TRPV1 (0.48) TRPV1PIK3CAPIK3CDLMNAADORA2A

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 244/4885PDE4D 695/4885MTOR 2949/4885

“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.