SCHEMBL6764498

SCHEMBL6764498

CC(C)(C)c1ccc(NC(=O)N2CCC(=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.59
CNR1 P21554 4/20 0.56
TRPV1 Q8NER1 8/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
TRPA1 O75762 1/20 0.53
KCNH2 Q12809 1/20 0.53
TRPM8 Q7Z2W7 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
SCHEMBL6764534 0.85 NAMPT (0.61) CNR2CNR1TRPV1TRPM8
SCHEMBL15085797 0.84 CNR2 (0.71) CNR2CNR1
SCHEMBL7438084 0.83 NPC1 (0.71)
SCHEMBL30965820 0.82 POLB (0.63) CNR2CNR1TRPV1CA12CA1
SCHEMBL14040565 0.80 TRPV1 (0.52) CNR2CNR1TRPV1CA12CA1
SCHEMBL6832249 0.80 CNR2 (0.51) CNR2CNR1TRPV1CA12CA1
SCHEMBL6764523 0.80 NPC1 (0.71) TRPV1
SCHEMBL7437931 0.80 GAA (0.62) TRPV1CA12CA1CA2CA9
SCHEMBL9466294 0.79 MAPT (0.60) CNR2CNR1TRPV1CA12CA1
SCHEMBL3151233 0.79 CYP2C9 (0.65)

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 19 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-B1 Heteroaryl-tetrahydropiperidyl compounds useful for treating or preventing pain EURO CELTIQUE SA (LU) 2009-05-20 EP disclosed
EP-1648879-B1 HETEROARYL-TETRAHYDROPYRIDYL COMPOUNDS USEFUL FOR TREATING OR PREVENTING PAIN EURO CELTIQUE SA (LU) 2008-10-22 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 CNR2 90/4885CNR1 78/4885TRPV1 135/4885
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B CNR2 90/4885CNR1 78/4885TRPV1 135/4885
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B CNR2 90/4885CNR1 78/4885TRPV1 135/4885

“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.