SCHEMBL3879359

SCHEMBL3879359

CC1CN(c2ncccc2Cl)CCN1c1cc(-c2cccc(C#N)c2)nc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.46
MTOR P42345 1/20 0.44
TRPV1 Q8NER1 8/20 0.44
PIK3CA P42336 4/20 0.43
LRRK2 Q5S007 4/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.41
STK3 Q13188 2/20 0.40
STK26 Q9P289 2/20 0.40
MST1 P26927 1/20 0.40
STK4 Q13043 1/20 0.40

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
SCHEMBL13761529 1.00 PDE4D (0.46) PDE4DMTORTRPV1PIK3CALRRK2
SCHEMBL3878523 0.94 TRPV1 (0.45) PDE4DMTORTRPV1LRRK2PIK3CD
SCHEMBL3881506 0.92 TRPV1 (0.45) MTORTRPV1PIK3CA
SCHEMBL3880037 0.90 TRPV1 (0.50) MTORTRPV1PIK3CA
SCHEMBL3879649 0.90 TRPV1 (0.50) MTORTRPV1PIK3CA
SCHEMBL3877163 0.89 TRPV1 (0.49) MTORTRPV1PIK3CA
SCHEMBL3883483 0.89 SYK (0.46) PDE4DMTORTRPV1LRRK2PIK3CD
SCHEMBL13761528 0.89 SYK (0.46) PDE4DMTORTRPV1LRRK2PIK3CD
SCHEMBL3878595 0.89 TRPV1 (0.45) MTORTRPV1PIK3CA
SCHEMBL3890136 0.87 TRPV1 (0.53) MTORTRPV1PIK3CA

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 2 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-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 PDE4D 695/4885MTOR 2949/4885TRPV1 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.