SCHEMBL5012243

SCHEMBL5012243

COc1cc(C2=NOC3(CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)C2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CNR2 P34972 3/20 0.44
TRPV1 Q8NER1 7/20 0.43
TRPM8 Q7Z2W7 5/20 0.43
TRPA1 O75762 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL5130874 0.87 TRPV1 (0.48) CNR2TRPV1TRPM8TRPA1KCNH2
SCHEMBL5117480 0.87 CYP1A2 (0.53) MAPTALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL5130723 0.86 CNR2 (0.53) CNR2TRPV1TRPM8TRPA1KCNH2
SCHEMBL5129092 0.86 CNR2 (0.53) CNR2TRPV1TRPM8TRPA1KCNH2
SCHEMBL5129563 0.84 SMN1; SMN2 (0.48) PDGFRBTRPV1MAPTALDH1A1NPSR1
SCHEMBL5116107 0.84 CNR2 (0.47) CNR2TRPV1TRPM8TRPA1KCNH2
SCHEMBL5129898 0.84 GRIN2B (0.53) CNR2TRPV1TRPM8MAPTNPSR1
SCHEMBL5129811 0.84 TRPV1 (0.47) CNR2TRPV1TRPM8TRPA1KCNH2
SCHEMBL5129728 0.84 TRPV1 (0.47) CNR2TRPV1TRPM8TRPA1KCNH2
SCHEMBL5124034 0.83 ALDH1A1 (0.46) TRPV1MAPTALDH1A1KMT2A

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 PDGFRB 2494/4885PDGFRA 1588/4885CNR2 1205/4885

“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.