SCHEMBL5124332

SCHEMBL5124332

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)Nc4ccccc4Br)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 4/20 0.41
GPR119 Q8TDV5 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
MAPT P10636 1/20 0.39
NPY5R Q15761 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
SCHEMBL5124662 0.91 TRPM8 (0.51) DGAT1LMNATRPM8NPY5R
SCHEMBL5125657 0.90 P2RX7 (0.44) LMNAKMT2ATRPV1NPY5R
SCHEMBL5124361 0.89 KMT2A (0.47) DGAT1LMNAKMT2ATRPM8GPR119
SCHEMBL5129812 0.89 LMNA (0.45) DGAT1LMNAKMT2ATRPM8TRPV1
SCHEMBL5125820 0.89 ALDH1A1 (0.45) LMNATRPM8TRPV1MAPTNPY5R
SCHEMBL5124434 0.89 TRPM8 (0.41) KMT2ATRPM8GPR119TRPV1NPY5R
SCHEMBL5115751 0.88 FAAH (0.42) LMNAKMT2ATRPM8TRPV1NPY5R
SCHEMBL5130574 0.88 TAAR1 (0.42) KMT2ATRPV1MAPT
SCHEMBL5130668 0.87 TRPV1 (0.45) DGAT1LMNAKMT2ATRPV1MAPT
SCHEMBL5131318 0.87 PKM (0.50) LMNAKMT2ATRPV1NPY5R

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

“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.