SCHEMBL86109

SCHEMBL86109

Cc1cc2nc(C(C)C)sc2cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASR P41180 1/20 0.40
LMNA P02545 1/20 0.37
OPRK1 P41145 1/20 0.37
CCR6 P51684 1/20 0.37
BACE1 P56817 1/20 0.37
SCN4A P35499 1/20 0.36
ACP1 P24666 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2707208 0.87 NPC1 (0.45) GAASMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL12231965 0.87 GAA (0.44) GAASMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL21422893 0.87 GAA (0.44) GAASMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL20047441 0.83 GAA (0.41) GAASMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2756559 0.82 SMN1; SMN2 (0.61) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL2615995 0.82 GAA (0.52) GAASMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL12205823 0.80 NPC1 (0.38) GAASMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL13729643 0.78 GLP1R (0.38) GAASMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL26438869 0.78 ACACB (0.41) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL24466885 0.77 HSD17B10 (0.46) GAASMN1; SMN2ALDH1A1TP53TSHR

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 22 patents — showing the first 20. 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-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2014-09-04 US disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-8637548-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2014-01-28 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
US-8178560-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2012-05-15 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-8129388-B2 Therapeutic agents useful for treating pain Purde Pharma L.P. (US) 2012-03-06 US disclosed
US-20110288100-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-24 US disclosed
US-7994177-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-08-09 US disclosed
US-7964606-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-06-21 US disclosed
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2011-03-24 US disclosed
US-20110009418-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-01-13 US disclosed
US-20100331369-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2010-12-30 US disclosed
US-20100317670-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-12-16 US disclosed
US-7799807-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-09-21 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-7772254-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-08-10 US disclosed
US-20070027159-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-01 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 (9 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 GAA 1032/4885SMN1; SMN2 25/4885ALDH1A1 1552/4885
US-20110009418-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN OPRL1, OPRK1, TRPV1 GAA 4216/4885SMN1; SMN2 368/4885ALDH1A1 407/4885
US-20070027159-A1 Therapeutic agents useful for treating pain ARRB1, FPR1, OPRL1 GAA 4548/4885SMN1; SMN2 899/4885ALDH1A1 875/4885
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B GAA 1032/4885SMN1; SMN2 25/4885ALDH1A1 1552/4885
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 GAA 2938/4885SMN1; SMN2 2293/4885ALDH1A1 1526/4885
US-20110288100-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN OPRL1, OPRK1, MTNR1A GAA 4653/4885SMN1; SMN2 279/4885ALDH1A1 652/4885
US-20140249185-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B GAA 1032/4885SMN1; SMN2 25/4885ALDH1A1 1552/4885
US-20100317670-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN OPRL1, OPRK1, MTNR1A GAA 4653/4885SMN1; SMN2 279/4885ALDH1A1 652/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 GAA 4302/4885SMN1; SMN2 4615/4885ALDH1A1 840/4885

“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.