SCHEMBL5117507

SCHEMBL5117507

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPK1 P28482 4/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 3/20 0.56
TP53 P04637 3/20 0.56
LMNA P02545 2/20 0.56
USP2 O75604 3/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 2/20 0.47
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 2/20 0.47
MAPK10 P53779 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 2/20 0.47
NPY5R Q15761 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5130656 0.93 CYP2D6 (0.54) ALDH1A1SMN1; SMN2MAPK1MAPTHTT
SCHEMBL5124433 0.92 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2MAPK1MAPTHTT
SCHEMBL5121555 0.92 CYP1A2 (0.57) ALDH1A1SMN1; SMN2HTTUSP2CYP3A4
SCHEMBL5130018 0.92 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPK1MAPTHTT
SCHEMBL5121286 0.92 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2MAPK1MAPTHTT
SCHEMBL5130403 0.91 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPK1MAPTHTT
SCHEMBL5121447 0.91 MAPT (0.56) ALDH1A1SMN1; SMN2MAPK1MAPTHTT
SCHEMBL5123510 0.90 PDGFRB (0.53) ALDH1A1SMN1; SMN2MAPK1HTTLMNA
SCHEMBL5124929 0.90 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPK1MAPTHTT
SCHEMBL5117457 0.89 TRPM8 (0.55)

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 ALDH1A1 511/4885SMN1; SMN2 79/4885MAPK1 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.