SCHEMBL5012999

SCHEMBL5012999

COc1cc(C2=NOC3(CCN(C(=O)c4ccc(C(F)(F)F)nc4Cl)CC3)C2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
CCR1 P32246 1/20 0.36
ACACA Q13085 2/20 0.36
LRRK2 Q5S007 5/20 0.36
PDE4B Q07343 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
RORC P51449 2/20 0.34
PDE11A Q9HCR9 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
BRCA1 P38398 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5117280 0.74 CYP1A1 (0.36) TRPV1CCR1MAPT
SCHEMBL5014382 0.74 L3MBTL1 (0.47) PTGS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5012243 0.73 PDGFRB (0.45) ALDH1A1TRPV1MAPT
SCHEMBL5131532 0.73 GPR183 (0.39) KDM4EALDH1A1HPGDTRPV1L3MBTL1
SCHEMBL5120699 0.72 HTT (0.38) KDM4EALDH1A1HPGDHSD17B10PDE4B
SCHEMBL16175695 0.72 GPR183 (0.37) ACACAPDE4BPDE4APDE4CPDE4D
SCHEMBL5124034 0.72 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTRPV1MAPT
SCHEMBL5015754 0.71 HTT (0.49) KDM4EALDH1A1HPGDHSD17B10PDE4B
SCHEMBL15837680 0.70 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10PDE4B
SCHEMBL5011246 0.69 MAPT (0.38) KDM4EALDH1A1PDE4BPDE4APDE4C

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 7 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
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
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 PTGS2 1064/4885PTGS1 285/4885KDM4E 4068/4885

“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.