SCHEMBL6764523

SCHEMBL6764523

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
KMT2A Q03164 2/20 0.67
PANK3 Q9H999 12/20 0.61
TP53 P04637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
THRB P10828 1/20 0.60
MAPK1 P28482 1/20 0.60
FAAH O00519 1/20 0.56
TRPV1 Q8NER1 3/20 0.56

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
SCHEMBL104337 0.87 RAB9A (0.75) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL4559943 0.87 NPC1 (0.75) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL104605 0.84 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL7438084 0.84 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL7437931 0.84 GAA (0.62) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL104586 0.83 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL14597010 0.83 NPC1 (0.69) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL14040566 0.81 SMN1; SMN2 (0.63) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL10285113 0.81 SMN1; SMN2 (0.60) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL3151233 0.80 CYP2C9 (0.65) NPC1RAB9AMAPTSMN1; SMN2TP53

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 18 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

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 NPC1 748/4885RAB9A 963/4885MAPT 89/4885
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B NPC1 748/4885RAB9A 963/4885MAPT 89/4885
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B NPC1 748/4885RAB9A 963/4885MAPT 89/4885

“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.