SCHEMBL5454751

SCHEMBL5454751

CCCNc1nc(Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)CC2C)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.47
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14581566 1.00 TRPV1 (0.47) TRPV1LMNAMAPTNPSR1
SCHEMBL14581568 0.95 TRPV1 (0.46) TRPV1
SCHEMBL5793585 0.94 TRPV1 (0.47) TRPV1LMNAMAPTNPSR1
SCHEMBL5448508 0.94 TRPV1 (0.47) TRPV1LMNAMAPTNPSR1
SCHEMBL5793552 0.90 TRPV1 (0.47) TRPV1
SCHEMBL5441178 0.89 TRPV1 (0.46) TRPV1
SCHEMBL5795701 0.89 TRPV1 (0.46) TRPV1
SCHEMBL5794420 0.89 TRPV1 (0.49) TRPV1
SCHEMBL5451397 0.89 TRPV1 (0.49) TRPV1
SCHEMBL5460823 0.88 TRPV1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US claimed

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-20070043049-A1 Substituted heterocyclic diarylamine analogues GPR35, NPY1R, BDKRB1 TRPV1 402/4885LMNA 745/4885MAPT 4826/4885

“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.