SCHEMBL8336071

SCHEMBL8336071

Cc1ccnnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 1.00
TRPA1 O75762 1/20 0.62
KCNH2 Q12809 1/20 0.62
TRPM8 Q7Z2W7 1/20 0.62
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL8338217 0.90 TRPV1 (1.00) TRPV1
SCHEMBL13930805 0.84 TRPV1 (0.82) TRPV1TRPA1KCNH2TRPM8
SCHEMBL8338144 0.83 TRPV1 (1.00) TRPV1MAPT
SCHEMBL8336910 0.82 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8PDGFRB
SCHEMBL8336113 0.77 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8CA12
SCHEMBL1269620 0.76 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8
SCHEMBL29386030 0.76 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423733 0.76 TRPV1 (0.77) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423739 0.76 TRPV1 (0.77) TRPV1TRPA1KCNH2TRPM8
SCHEMBL13377930 0.76 TRPV1 (0.77) TRPV1TRPA1KCNH2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696207-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-04-13 US disclosed
US-7696207-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-04-13 US disclosed
US-20080200472-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-08-21 US disclosed
US-20080200472-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-08-21 US disclosed
US-7262194-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-28 US disclosed
US-7262194-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-28 US disclosed
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 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 (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-20080200472-A1 Therapeutic agents useful for treating pain HRH2, OPRL1, TRPV1 TRPV1 3/4885TRPA1 6/4885KCNH2 104/4885

“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.