SCHEMBL5124828

SCHEMBL5124828

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 6/20 0.42
TP53 P04637 2/20 0.42
EPHX2 P34913 3/20 0.42
EPHX1 P07099 1/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
HTT P42858 2/20 0.40
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 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
SCHEMBL5117469 0.90 TRPV1 (0.44) LMNATP53EPHX2CNR2ALDH1A1
SCHEMBL5124905 0.89 LMNA (0.53) MEN1RAB9AKMT2ALMNATP53
SCHEMBL5123755 0.88 ALDH1A1 (0.42) MEN1RAB9AKMT2ALMNAEPHX2
SCHEMBL5128744 0.87 ALDH1A1 (0.43) MEN1RAB9AKMT2ALMNAEPHX2
SCHEMBL5128813 0.87 LMNA (0.54) LMNATP53HTTCNR2SMN1; SMN2
SCHEMBL5130161 0.87 SMN1; SMN2 (0.51) LMNAEPHX2HTTCNR2SMN1; SMN2
SCHEMBL5014508 0.87 EPHX2 (0.41) MEN1RAB9AKMT2AEPHX2EPHX1
SCHEMBL5012233 0.83 CNR2 (0.48) MAPTCNR2ALDH1A1
SCHEMBL5012884 0.83 LMNA (0.39) MEN1RAB9AKMT2ALMNAEPHX2
SCHEMBL5130874 0.83 TRPV1 (0.48) EPHX2MAPTCNR2ALDH1A1

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 MEN1 1834/4885RAB9A 2540/4885KMT2A 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.