SCHEMBL6430105

SCHEMBL6430105

CSC1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.51
KCNH2 Q12809 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
PANK3 Q9H999 1/20 0.51

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
SCHEMBL4266881 0.87 TRPV1 (0.60) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL4258931 0.87 TRPV1 (0.60) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL6430472 0.87 TRPV1 (0.60) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL4266643 0.87 TRPA1 (0.53) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL4274899 0.85 TRPA1 (0.51) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL4266107 0.85 TRPV1 (0.56) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL14437299 0.84 TRPA1 (0.50) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL28750822 0.82 PANK3 (0.48) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL6430141 0.81 TRPA1 (0.74) TRPA1KCNH2TRPM8TRPV1PANK3
SCHEMBL13911578 0.80 TRPV1 (0.56) TRPA1KCNH2TRPM8TRPV1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176443-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2004-09-09 US claimed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 US claimed
EP-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP claimed
US-20020132853-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2002-09-19 US claimed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 WO claimed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 US disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO 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 (4 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-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPA1 4/4885KCNH2 403/4885TRPM8 25/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPA1 101/4885KCNH2 442/4885TRPM8 252/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA TRPA1 4103/4885KCNH2 3329/4885TRPM8 4377/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPA1 4/4885KCNH2 403/4885TRPM8 25/4885

“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.