SCHEMBL5130656

SCHEMBL5130656

COc1ccc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC)c2)=NO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
CYP1A2 P05177 3/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.54
USP2 O75604 2/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.49
CYP2C9 P11712 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL5124929 0.94 ALDH1A1 (0.53) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5130018 0.94 SMN1; SMN2 (0.51) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5121286 0.94 SMN1; SMN2 (0.55) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5117507 0.93 ALDH1A1 (0.56) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5130403 0.93 SMN1; SMN2 (0.50) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5121447 0.93 MAPT (0.56) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5124433 0.93 SMN1; SMN2 (0.61) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5123486 0.92 ALDH1A1 (0.59) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5117457 0.92 TRPM8 (0.55)
SCHEMBL5121756 0.92 SMN1; SMN2 (0.48) CYP2D6CYP1A2TSHRSMN1; SMN2ALDH1A1

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 CYP2D6 1290/4885CYP1A2 2142/4885TSHR 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.