SCHEMBL5120010

SCHEMBL5120010

CCc1cccc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.39
DNMT1 P26358 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL5121229 0.92 TRPM8 (0.46) FAAH
SCHEMBL5130511 0.90 KMT2A (0.43) FAAHPOLBTDP1ATMMAPT
SCHEMBL5128997 0.90 HTT (0.47) FAAHPOLBTDP1ATMMAPT
SCHEMBL5125333 0.89 SMN1; SMN2 (0.45) POLBTDP1ATMMAPTHTT
SCHEMBL5124351 0.89 NPC1 (0.47) FAAHMAPTTRPV1
SCHEMBL5117051 0.88 ALDH1A1 (0.49) FAAHMAPTTRPV1CYP2C19SMN1; SMN2
SCHEMBL5130937 0.88 CA1 (0.42) MAPTTRPV1CYP2C19CYP2D6HSD17B10
SCHEMBL5130504 0.88 GRIN2B (0.51) MAPTTRPV1RECQLSMN1; SMN2KDM4E
SCHEMBL5121795 0.88 CYP2D6 (0.52) CYP3A4CYP2C19SMN1; SMN2CYP2D6
SCHEMBL5012238 0.87 POLB (0.40) POLBTDP1ATMMAPTHTT

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 FAAH 2115/4885POLB 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.