SCHEMBL6764495

SCHEMBL6764495

Cc1cccnc1C1=CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.65
TRPA1 O75762 1/20 0.52
KCNH2 Q12809 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
LIMK1 P53667 2/20 0.52
LIMK2 P53671 2/20 0.52

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
SCHEMBL6764613 0.91 TRPV1 (0.79) TRPV1
SCHEMBL12971681 0.91 TRPV1 (0.62) TRPV1LIMK1LIMK2
SCHEMBL6764626 0.86 TRPV1 (0.60) TRPV1LIMK1LIMK2
SCHEMBL14945301 0.80 TRPV1 (0.78) TRPV1
SCHEMBL6764614 0.80 TRPV1 (0.72) TRPV1LIMK1LIMK2
SCHEMBL6764630 0.80 TRPV1 (0.80) TRPV1
SCHEMBL10308203 0.79 TRPV1 (1.00) TRPV1
SCHEMBL14945283 0.78 TRPV1 (0.76) TRPV1LIMK1LIMK2
SCHEMBL14040565 0.78 TRPV1 (0.52) TRPV1
SCHEMBL6649430 0.78 ALDH1A1 (0.49) TRPV1LIMK1LIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301953-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2016-04-05 US disclosed
US-9301953-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2016-04-05 US disclosed
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2014-09-04 US disclosed
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2014-09-04 US disclosed
US-8637548-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2014-01-28 US disclosed
US-8637548-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2014-01-28 US disclosed
US-8178560-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2012-05-15 US disclosed
US-8178560-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2012-05-15 US disclosed
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2011-03-24 US disclosed
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2011-03-24 US disclosed
US-20100331369-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2010-12-30 US disclosed
US-20100331369-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2010-12-30 US disclosed
US-7776861-B2 Cycloheteroalkenyl compounds used as analgesics and for treating incontinence, inflammatory bowel disease, Parkinson's disease, amyotrophic lateral sclerosis, dementia, epilepsy, retinopathy, pruritus, psychoses, Huntington's disease, headaches, vomiting, dyskinesia or as anxiolytics and antidepressants PURDUE PHARMA L.P. (US) 2010-08-17 US disclosed
US-7776861-B2 Cycloheteroalkenyl compounds used as analgesics and for treating incontinence, inflammatory bowel disease, Parkinson's disease, amyotrophic lateral sclerosis, dementia, epilepsy, retinopathy, pruritus, psychoses, Huntington's disease, headaches, vomiting, dyskinesia or as anxiolytics and antidepressants PURDUE PHARMA L.P. (US) 2010-08-17 US disclosed
EP-2080757-A1 Heteroaryl-tetrahydropiperidyl compounds useful for treating or preventing pain EURO-CELTIQUE S.A. (LU) 2009-07-22 EP disclosed
EP-1867644-A1 Heteroaryl-tetrahydropiperidyl compounds useful for treating or preventing pain EURO-CELTIQUE S.A. (LU) 2007-12-19 EP disclosed
WO-2005009988-A1 HETEROARYL-TETRAHYDROPIPERIDYL COMPOUNDS USEFUL FOR TREATING OR PREVENTING PAIN EURO-CELTIQUE S.A. (LU) 2005-02-03 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 (3 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-20100331369-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B TRPV1 135/4885TRPA1 149/4885KCNH2 653/4885
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B TRPV1 135/4885TRPA1 149/4885KCNH2 653/4885
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B TRPV1 135/4885TRPA1 149/4885KCNH2 653/4885

“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.