SCHEMBL5129964

SCHEMBL5129964

CCc1ccc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC)c2)=NO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 5/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
CYP2D6 P10635 2/20 0.46
USP2 O75604 1/20 0.46
FAAH O00519 1/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 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
SCHEMBL5130044 0.92 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1RAB9AMAPK1
SCHEMBL5130656 0.92 CYP2D6 (0.54) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL5130018 0.90 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL5121286 0.90 SMN1; SMN2 (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL5117507 0.89 ALDH1A1 (0.56) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL5130403 0.89 SMN1; SMN2 (0.50) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL5121447 0.89 MAPT (0.56) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL5124433 0.89 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL5124929 0.88 ALDH1A1 (0.53) SMN1; SMN2MAPTKMT2AALDH1A1MAPK1
SCHEMBL5119952 0.88 MAPT (0.54) SMN1; SMN2MAPTKMT2ANPC1RAB9A

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 79/4885MAPT 161/4885KMT2A 4006/4885

“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.