SCHEMBL5123541

SCHEMBL5123541

CC(C)c1ccc(NC(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TRPV1 Q8NER1 3/20 0.50
KMT2A Q03164 2/20 0.50
PANK3 Q9H999 6/20 0.49
FAAH O00519 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.45
CYP2C19 P33261 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
SCHEMBL5121281 0.91 NPC1 (0.51) NPC1RAB9ATRPV1PANK3FAAH
SCHEMBL5126872 0.91 RAB9A (0.51) NPC1RAB9ATRPV1PANK3SMN1; SMN2
SCHEMBL16175730 0.89 TRPM8 (0.49) TRPV1FAAHMAPTSMN1; SMN2ALDH1A1
SCHEMBL5130354 0.89 ALDH1A1 (0.54) FAAHMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL5129896 0.89 TRPM8 (0.51) NPC1RAB9ATRPV1KMT2AFAAH
SCHEMBL5124900 0.89 ALDH1A1 (0.52) NPC1RAB9ATRPV1KMT2AFAAH
SCHEMBL5116190 0.88 NPC1 (0.48) NPC1RAB9ATRPV1PANK3
SCHEMBL5124061 0.88 NPC1 (0.48) NPC1RAB9ATRPV1PANK3
SCHEMBL5121756 0.88 SMN1; SMN2 (0.48) NPC1RAB9ATRPV1KMT2APANK3
SCHEMBL5119901 0.88 PANK3 (0.53) NPC1RAB9ATRPV1PANK3

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 NPC1 785/4885RAB9A 2540/4885TRPV1 57/4885

“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.