SCHEMBL3881553

SCHEMBL3881553

C[C@@H]1CN(c2ncccc2Cl)CCN1c1cc(-c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.57
MTOR P42345 5/20 0.40
TRPA1 O75762 2/20 0.40
PIK3CA P42336 2/20 0.40
KCNH2 Q12809 1/20 0.40
TRPM8 Q7Z2W7 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
SCHEMBL3889177 0.91 TRPV1 (0.51) TRPV1MTORPIK3CA
SCHEMBL3877163 0.91 TRPV1 (0.49) TRPV1MTORPIK3CA
SCHEMBL3876090 0.90 TRPV1 (0.47) TRPV1MTORPIK3CA
SCHEMBL3887929 0.89 TRPV1 (0.48) TRPV1MTORPIK3CA
SCHEMBL3889723 0.89 TRPV1 (0.55) TRPV1
SCHEMBL3881506 0.88 TRPV1 (0.45) TRPV1MTORPIK3CA
SCHEMBL3880879 0.88 TRPV1 (0.45) TRPV1MTORPIK3CA
SCHEMBL3876027 0.88 TRPV1 (0.51) TRPV1MTORPIK3CA
SCHEMBL3877311 0.88 TRPV1 (0.43) TRPV1MTORPIK3CA
SCHEMBL3877080 0.87 TRPV1 (0.46) TRPV1MTORPIK3CA

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 244/4885MTOR 2949/4885TRPA1 714/4885

“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.