SCHEMBL3877121

SCHEMBL3877121

Cc1cc(-c2cc(N3CCN(c4ncccc4Cl)CC3)nc(N3CCCCC3C)n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.42
GRM5 P41594 2/20 0.40
MALT1 Q9UDY8 2/20 0.38
CHRM4 P08173 5/20 0.38
MTOR P42345 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL3879062 0.97 TRPV1 (0.43) TRPV1GRM5MALT1CHRM4
SCHEMBL3878492 0.93 TRPV1 (0.48) TRPV1GRM5CHRM4MTOR
SCHEMBL3878041 0.91 MALT1 (0.44) TRPV1MALT1CHRM4
SCHEMBL3888352 0.90 TRPV1 (0.49) TRPV1GRM5MALT1CHRM4
SCHEMBL3878083 0.90 TRPV1 (0.49) TRPV1GRM5MALT1CHRM4
SCHEMBL13761545 0.90 TRPV1 (0.49) TRPV1GRM5MALT1CHRM4
SCHEMBL3883269 0.90 TRPV1 (0.49) TRPV1GRM5MALT1CHRM4
SCHEMBL3879735 0.90 TRPV1 (0.49) TRPV1GRM5MALT1CHRM4
SCHEMBL13761558 0.90 TRPV1 (0.49) TRPV1GRM5MALT1CHRM4
SCHEMBL3878207 0.90 GRM5 (0.41) TRPV1GRM5

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 244/4885GRM5 391/4885MALT1 1393/4885

“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.