SCHEMBL5119952

SCHEMBL5119952

CCc1ccc(NC(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.51
FAAH O00519 2/20 0.51
STAT1 P42224 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL5124960 0.91 NPC1 (0.50) MAPTNPC1RAB9AKMT2AFAAH
SCHEMBL5121837 0.90 NPC1 (0.49) MAPTNPC1RAB9AKMT2AFAAH
SCHEMBL5125301 0.89 MAPT (0.47) MAPTNPC1RAB9AKMT2AFAAH
SCHEMBL16175730 0.89 TRPM8 (0.49) MAPTFAAHSMN1; SMN2POLBTSHR
SCHEMBL5130354 0.89 ALDH1A1 (0.54) MAPTFAAHSMN1; SMN2POLBTSHR
SCHEMBL5128997 0.89 HTT (0.47) MAPTNPC1FAAHSMN1; SMN2ATM
SCHEMBL5129896 0.89 TRPM8 (0.51) MAPTNPC1RAB9AKMT2AFAAH
SCHEMBL5124351 0.88 NPC1 (0.47) MAPTNPC1RAB9AKMT2AFAAH
SCHEMBL5129964 0.88 SMN1; SMN2 (0.48) MAPTNPC1RAB9AKMT2AFAAH
SCHEMBL5129725 0.88 EPHX2 (0.50) NPC1RAB9AKMT2AFAAHTRPM8

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 MAPT 161/4885NPC1 785/4885RAB9A 2540/4885

“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.