SCHEMBL5129908

SCHEMBL5129908

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ESRRG P62508 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
TPSAB1 Q15661 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 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
SCHEMBL5012943 0.96 ESRRG (0.46) NPC1RAB9AESRRGALDH1A1LMNA
SCHEMBL5129122 0.91 TP53 (0.45) ALDH1A1LMNA
SCHEMBL5129560 0.91 KMT2A (0.46) RAB9AALDH1A1LMNAKMT2AMAPT
SCHEMBL5124305 0.90 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AEPHX1EPHX2
SCHEMBL5120181 0.90 KMT2A (0.47) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL5124233 0.88 EPHX2 (0.50) ALDH1A1LMNAEPHX1EPHX2
SCHEMBL5012970 0.87 KMT2A (0.50) RAB9AALDH1A1LMNAKMT2AMAPT
SCHEMBL5012262 0.86 NPC1 (0.43) NPC1RAB9AESRRGALDH1A1LMNA
SCHEMBL16175770 0.84 KMT2A (0.48) ALDH1A1LMNAKMT2AEPHX1EPHX2
SCHEMBL5118056 0.84 TRPV1 (0.51) ALDH1A1

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 NPC1 785/4885RAB9A 2540/4885ESRRG 3062/4885

“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.