SCHEMBL5129563

SCHEMBL5129563

COc1cccc(C2=NOC3(CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 3/20 0.48
MAPK1 P28482 5/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
STAT1 P42224 1/20 0.47
GRIN2B Q13224 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
CYP2D6 P10635 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
NPY5R Q15761 1/20 0.45
KMT2A Q03164 2/20 0.45
PDGFRB P09619 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
SCHEMBL5123510 0.92 PDGFRB (0.53) SMN1; SMN2MAPK1HTTLMNAALDH1A1
SCHEMBL5130190 0.92 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HTTLMNAMAPT
SCHEMBL5130656 0.92 CYP2D6 (0.54) SMN1; SMN2TP53MAPK1HTTLMNA
SCHEMBL5117480 0.90 CYP1A2 (0.53) SMN1; SMN2MAPK1MAPTALDH1A1CYP2D6
SCHEMBL5130018 0.90 SMN1; SMN2 (0.51) SMN1; SMN2TP53MAPK1HTTLMNA
SCHEMBL5121286 0.90 SMN1; SMN2 (0.55) SMN1; SMN2TP53MAPK1HTTLMNA
SCHEMBL5119339 0.89 MEN1 (0.44) SMN1; SMN2TP53MAPK1HTTLMNA
SCHEMBL5121447 0.89 MAPT (0.56) SMN1; SMN2TP53MAPK1HTTLMNA
SCHEMBL5130403 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TP53MAPK1HTTLMNA
SCHEMBL5117507 0.89 ALDH1A1 (0.56) SMN1; SMN2TP53MAPK1HTTLMNA

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 SMN1; SMN2 79/4885TP53 4483/4885MAPK1 2897/4885

“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.