SCHEMBL5124902

SCHEMBL5124902

COc1cccc(C2=NOC3(CCN(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)CC3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
CYP2C19 P33261 4/20 0.53
CYP2D6 P10635 3/20 0.53
CYP1A2 P05177 3/20 0.53
TRPM8 Q7Z2W7 3/20 0.48
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
NPY5R Q15761 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CSNK1E P49674 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5129742 0.89 TRPM8 (0.51) TRPM8ALDH1A1KMT2ANPY5RHSD17B10
SCHEMBL5012259 0.89 CYP3A4 (0.51) CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1
SCHEMBL5123510 0.88 PDGFRB (0.53) CYP3A4TRPM8ALDH1A1LMNAMAPK1
SCHEMBL5119954 0.87 KMT2A (0.58) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL5124450 0.87 TRPM8 (0.50) TRPM8ALDH1A1LMNAKMT2ANPY5R
SCHEMBL5124334 0.87 LMNA (0.55) CYP3A4LMNAMAPK1MAPTGAA
SCHEMBL5124255 0.86 TRPM8 (0.47) CYP3A4CYP2C19CYP2D6CYP1A2TRPM8
SCHEMBL5117586 0.86 TRPM8 (0.47) CYP3A4CYP2C19CYP2D6CYP1A2TRPM8
SCHEMBL5120040 0.86 TRPM8 (0.49) TRPM8ALDH1A1LMNAMAPTKMT2A
SCHEMBL5119757 0.85 RBP4 (0.44) CYP3A4CYP2C19CYP1A2TRPM8ALDH1A1

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 CYP3A4 2391/4885CYP2C19 2329/4885CYP2D6 1290/4885

“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.