SCHEMBL10285113

SCHEMBL10285113

CC(C)c1ccc(NC(=O)N2CC=C(O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 2/20 0.60
PANK3 Q9H999 12/20 0.52
TP53 P04637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
MAPK1 P28482 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
FAAH O00519 1/20 0.48

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
SCHEMBL14040566 0.86 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL6764523 0.81 NPC1 (0.71) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL6832249 0.81 CNR2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1TRPV1
SCHEMBL6832530 0.78 TRPV1 (0.58) MAPTTRPV1
SCHEMBL104337 0.78 RAB9A (0.75) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL4559943 0.78 NPC1 (0.75) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL6764530 0.78 NAMPT (0.54) PANK3TRPV1
SCHEMBL13203001 0.77 PANK3 (0.59) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL6764516 0.76 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL104605 0.76 NPC1 (0.71) SMN1; SMN2NPC1RAB9AMAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SMN1; SMN2 25/4885NPC1 748/4885RAB9A 963/4885
US-20110071192-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B SMN1; SMN2 25/4885NPC1 748/4885RAB9A 963/4885

“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.