SCHEMBL5012767

SCHEMBL5012767

COc1cccc(C2=NOC3(CCN(C=CC(=O)c4ccc(C(C)(C)C)cc4)CC3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 2/20 0.43
ALOX12 P18054 2/20 0.43
RECQL P46063 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.40
GRK2 P25098 1/20 0.39
RAB9A P51151 2/20 0.38

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
SCHEMBL5014491 0.89 KMT2A (0.46) MAPTALDH1A1KDM4EUSP2ALOX12
SCHEMBL5012215 0.88 RECQL (0.40) MAPTALDH1A1USP2ALOX12RECQL
SCHEMBL5014418 0.88 CA1 (0.43) MAPTALDH1A1KDM4EUSP2ALOX12
SCHEMBL5014503 0.87 ALDH1A1 (0.42) MAPTALDH1A1KDM4EUSP2ALOX12
SCHEMBL5015766 0.85 HTT (0.48) MAPTALDH1A1KDM4ERECQLHTT
SCHEMBL5015816 0.85 MAPT (0.40) MAPTALDH1A1USP2ALOX12POLB
SCHEMBL5011232 0.84 KMT2A (0.41) MAPTALDH1A1USP2ALOX12PKM
SCHEMBL5014374 0.83 NPSR1 (0.39) MAPTALDH1A1KDM4EUSP2ALOX12
SCHEMBL5012842 0.83 HTT (0.42) MAPTALDH1A1KDM4ERECQLPKM
SCHEMBL5012839 0.83 HTT (0.42) MAPTALDH1A1KDM4ERECQLPKM

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 8 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-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US 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 MAPT 161/4885ALDH1A1 511/4885KDM4E 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.