SCHEMBL3877308

SCHEMBL3877308

C[C@@H]1CN(c2ncccc2Cl)CCN1c1cc(-c2ccc(F)cc2)nc(N2CCOC[C@H]2C)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.48
TRPV1 Q8NER1 9/20 0.46
PIK3CA P42336 2/20 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
SCHEMBL3883926 0.92 TRPV1 (0.47) MTORTRPV1PIK3CA
SCHEMBL3944715 0.92 TRPV1 (0.47) MTORTRPV1PIK3CA
SCHEMBL3876090 0.92 TRPV1 (0.47) MTORTRPV1PIK3CA
SCHEMBL14613881 0.89 MTOR (0.46) MTORPIK3CA
SCHEMBL13761517 0.89 TRPV1 (0.47) TRPV1
SCHEMBL3877061 0.89 TRPV1 (0.47) TRPV1
SCHEMBL13761516 0.89 TRPV1 (0.48) TRPV1
SCHEMBL3879871 0.89 TRPV1 (0.48) TRPV1
SCHEMBL3944494 0.88 MTOR (0.43) MTORTRPV1PIK3CA
SCHEMBL3880752 0.88 TRPV1 (0.47) TRPV1

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 6 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

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 MTOR 2949/4885TRPV1 244/4885PIK3CA 1107/4885

“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.