SCHEMBL5117586

SCHEMBL5117586

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)CC3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.47
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CSNK1E P49674 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPY5R Q15761 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
EPHX2 P34913 1/20 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
SCHEMBL5124450 0.95 TRPM8 (0.50) TRPM8ALDH1A1POLBL3MBTL1CSNK1E
SCHEMBL5124255 0.93 TRPM8 (0.47) TRPM8ALDH1A1POLBL3MBTL1TSHR
SCHEMBL5120040 0.93 TRPM8 (0.49) TRPM8ALDH1A1POLBL3MBTL1CSNK1E
SCHEMBL5129742 0.91 TRPM8 (0.51) TRPM8ALDH1A1POLBL3MBTL1TSHR
SCHEMBL5125820 0.87 ALDH1A1 (0.45) TRPM8ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL5012809 0.87 KMT2A (0.41) ALDH1A1POLBL3MBTL1TSHRKDM4E
SCHEMBL5127089 0.86 TRPM8 (0.42) TRPM8CYP1A2CYP2D6CYP2C19CSNK1E
SCHEMBL5129898 0.86 GRIN2B (0.53) TRPM8SMN1; SMN2TRPV1EPHX2
SCHEMBL5124902 0.86 CYP3A4 (0.53) TRPM8ALDH1A1POLBKDM4EUSP2
SCHEMBL5125133 0.85 TRPM8 (0.52) TRPM8ALDH1A1KDM4ENPY5RTRPV1

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 TRPM8 426/4885ALDH1A1 511/4885POLB 3770/4885

“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.