SCHEMBL5117480

SCHEMBL5117480

COc1ccc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.53
CYP2D6 P10635 3/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.48
CYP3A4 P08684 7/20 0.48
USP2 O75604 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
HIF1A Q16665 1/20 0.46
HPGD P15428 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
SCHEMBL5130874 0.93 TRPV1 (0.48) MAPTALDH1A1
SCHEMBL5124280 0.92 CYP3A4 (0.55) CYP1A2CYP2D6TSHRKMT2AMAPT
SCHEMBL5129563 0.90 SMN1; SMN2 (0.48) CYP1A2CYP2D6TSHRKMT2AMAPT
SCHEMBL5130404 0.90 FAAH (0.51) CYP2D6TSHRCYP3A4USP2ALDH1A1
SCHEMBL5125055 0.90 TRPM8 (0.53)
SCHEMBL5120022 0.89 CYP1A2 (0.55) CYP1A2CYP2D6TSHRKMT2AMAPT
SCHEMBL5129811 0.89 TRPV1 (0.47) SMN1; SMN2
SCHEMBL5129728 0.89 TRPV1 (0.47) SMN1; SMN2
SCHEMBL5130190 0.89 SMN1; SMN2 (0.55) TSHRMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL5125805 0.89 CNR1 (0.53) MAPT

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 CYP1A2 2142/4885CYP2D6 1290/4885TSHR 3033/4885

“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.