SCHEMBL5126596

SCHEMBL5126596

COc1cccc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
PDGFRB P09619 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.49
TRPM8 Q7Z2W7 8/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
GRIN2B Q13224 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL5130190 0.92 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTHSD17B10KDM4E
SCHEMBL5123510 0.92 PDGFRB (0.53) SMN1; SMN2LMNAHTTHSD17B10KDM4E
SCHEMBL5124334 0.91 LMNA (0.55) SMN1; SMN2LMNAHTTHSD17B10KDM4E
SCHEMBL5129879 0.90 NPY2R (0.49) SMN1; SMN2LMNAHTTHSD17B10KDM4E
SCHEMBL5116074 0.89 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTMAPK1NPC1
SCHEMBL5124280 0.89 CYP3A4 (0.55) SMN1; SMN2LMNAHSD17B10MAPK1MAPT
SCHEMBL5121358 0.89 TRPM8 (0.50) SMN1; SMN2LMNAHTTMAPTTRPM8
SCHEMBL5119726 0.89 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTMAPK1NPC1
SCHEMBL5124433 0.89 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTHSD17B10MAPK1
SCHEMBL5120786 0.89 TACR1 (0.50) RAB9ATRPM8USP2

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
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 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 (1 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI SMN1; SMN2 79/4885LMNA 875/4885HTT 50/4885

“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.