SCHEMBL5124361

SCHEMBL5124361

Cc1ccc(C2=NOC3(CCN(C(=O)Nc4ccccc4Br)CC3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
DGAT1 O75907 2/20 0.47
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5129812 0.92 LMNA (0.45) KMT2ADGAT1LMNAMAPTTRPV1
SCHEMBL5130668 0.90 TRPV1 (0.45) KMT2ADGAT1LMNAMAPTTRPV1
SCHEMBL5129689 0.90 KMT2A (0.47) KMT2ALMNATRPV1SMN1; SMN2
SCHEMBL5124332 0.89 DGAT1 (0.43) KMT2ADGAT1LMNAMAPTTRPV1
SCHEMBL5119673 0.88 KMT2A (0.44) KMT2AMAPTTRPV1SMN1; SMN2
SCHEMBL5122007 0.88 TRPM8 (0.48) KMT2ADGAT1LMNAMAPTTRPM8
SCHEMBL5124662 0.87 TRPM8 (0.51) DGAT1LMNATRPM8
SCHEMBL5129887 0.87 KMT2A (0.45) KMT2AMAPTTRPV1
SCHEMBL5117764 0.87 FAAH (0.43) KMT2ALMNATRPM8
SCHEMBL5130783 0.86 PKM (0.53) KMT2ADGAT1LMNAMAPTTRPV1

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 KMT2A 4006/4885DGAT1 3259/4885LMNA 875/4885

“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.