SCHEMBL6764626

SCHEMBL6764626

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.60
PANK3 Q9H999 1/20 0.52
LIMK1 P53667 3/20 0.52
LIMK2 P53671 3/20 0.52
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL12971681 0.91 TRPV1 (0.62) TRPV1LIMK1LIMK2NPC1MAPT
SCHEMBL13849144 0.88 TRPV1 (0.47) TRPV1PANK3
SCHEMBL6764495 0.86 TRPV1 (0.65) TRPV1LIMK1LIMK2
SCHEMBL6764613 0.85 TRPV1 (0.79) TRPV1
SCHEMBL13203001 0.83 PANK3 (0.59) TRPV1PANK3NPC1MAPTRAB9A
SCHEMBL14945301 0.82 TRPV1 (0.78) TRPV1MAPTKMT2A
SCHEMBL6764614 0.80 TRPV1 (0.72) TRPV1LIMK1LIMK2NPC1MAPT
SCHEMBL6764530 0.80 NAMPT (0.54) TRPV1PANK3
SCHEMBL14945283 0.80 TRPV1 (0.76) TRPV1LIMK1LIMK2MAPTKMT2A
SCHEMBL6649430 0.78 ALDH1A1 (0.49) TRPV1LIMK1LIMK2SMN1; SMN2

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 16 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-1648879-B1 HETEROARYL-TETRAHYDROPYRIDYL COMPOUNDS USEFUL FOR TREATING OR PREVENTING PAIN EURO CELTIQUE SA (LU) 2008-10-22 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 135/4885PANK3 4740/4885LIMK1 1349/4885
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B TRPV1 135/4885PANK3 4740/4885LIMK1 1349/4885
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B TRPV1 135/4885PANK3 4740/4885LIMK1 1349/4885

“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.