SCHEMBL5124433

SCHEMBL5124433

COc1cccc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC)c2)=NO3)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
HTT P42858 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
FAAH O00519 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPY5R Q15761 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
KIT P10721 1/20 0.47
TUBB4A P04350 1/20 0.47

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
SCHEMBL5119726 0.96 SMN1; SMN2 (0.59) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL5121286 0.95 SMN1; SMN2 (0.55) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL5116111 0.94 SMN1; SMN2 (0.55) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL5129910 0.93 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL5125858 0.93 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL5121555 0.93 CYP1A2 (0.57) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL5130656 0.93 CYP2D6 (0.54) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL5116074 0.92 SMN1; SMN2 (0.57) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL5117507 0.92 ALDH1A1 (0.56) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL5130044 0.92 SMN1; SMN2 (0.52) SMN1; SMN2HTTNPC1RAB9AMAPT

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 79/4885HTT 50/4885NPC1 785/4885

“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.