SCHEMBL6764534

SCHEMBL6764534

O=C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.61
MAPT P10636 1/20 0.57
TRPV1 Q8NER1 9/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
HPGDS O60760 1/20 0.56
FAAH O00519 1/20 0.55
PRKAB2 O43741 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAG3 Q9UGI9 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55
TRPM8 Q7Z2W7 2/20 0.55
EPHX2 P34913 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
SCHEMBL4559682 0.86 MAPT (0.73) NAMPTMAPTTRPV1CNR1CNR2
SCHEMBL14306236 0.86 MAPT (0.69) NAMPTMAPTTRPV1CNR1CNR2
SCHEMBL6764498 0.85 CNR2 (0.59) TRPV1CNR1CNR2TRPM8
SCHEMBL29185308 0.85 S1PR2 (0.51) NAMPTMAPTHPGDS
SCHEMBL6153200 0.84 KMT2A (0.69) NAMPTMAPTTRPV1CNR1CNR2
SCHEMBL2291409 0.83 LMNA (0.60) MAPTTRPV1FAAHEPHX2
SCHEMBL28363944 0.82 SMN1; SMN2 (0.70) NAMPTMAPTCNR1CNR2EPHX2
SCHEMBL655599 0.82 POLB (0.63) NAMPTMAPTTRPV1CNR1CNR2
SCHEMBL15134839 0.82 EPHX2 (0.69) NAMPTMAPTTRPV1CNR1CNR2
Hydrochloric Acid SCHEMBL23246046 0.81 POLB (0.66) NAMPTMAPTTRPV1CNR1CNR2

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-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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US 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 NAMPT 4709/4885MAPT 89/4885TRPV1 135/4885
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B NAMPT 4709/4885MAPT 89/4885TRPV1 135/4885
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B NAMPT 4709/4885MAPT 89/4885TRPV1 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.