SCHEMBL5128997

SCHEMBL5128997

CCc1cccc(NC(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
POLB P06746 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
FAAH O00519 3/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
DNMT1 P26358 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
SCHEMBL5130511 0.93 KMT2A (0.43) POLBTDP1MAPTATMFAAH
SCHEMBL5125333 0.92 SMN1; SMN2 (0.45) HTTPOLBTDP1MAPTATM
SCHEMBL5130044 0.90 SMN1; SMN2 (0.52) HTTPOLBTDP1MAPTFAAH
SCHEMBL5120010 0.90 FAAH (0.42) HTTPOLBTDP1MAPTATM
SCHEMBL5121229 0.89 TRPM8 (0.46) FAAH
SCHEMBL5119952 0.89 MAPT (0.54) POLBMAPTATMFAAHCYP2C19
SCHEMBL5120071 0.87 ALDH1A1 (0.54) HTTPOLBTDP1MAPTKDM4E
SCHEMBL5130354 0.87 ALDH1A1 (0.54) POLBMAPTFAAHCYP3A4CYP2C19
SCHEMBL16175714 0.86 HTT (0.46) HTTPOLBTDP1MAPTATM
SCHEMBL5131273 0.85 CYP3A4 (0.57) POLBFAAHCYP3A4CYP2C19SMN1; SMN2

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 HTT 50/4885POLB 3770/4885TDP1 1547/4885

“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.