SCHEMBL5120073

SCHEMBL5120073

COc1cccc(C2=NOC3(CCN(C(=O)C=Cc4ccc(C(C)(C)C)cc4)CC3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
GPR183 P32249 4/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
ACHE P22303 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.40

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
SCHEMBL5130774 0.88 NPC1 (0.41) NPC1ALDH1A1RAB9AGAAGPR183
SCHEMBL5116128 0.88 RAB9A (0.54) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5130578 0.88 ALDH1A1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5130576 0.88 ALDH1A1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5123594 0.88 NPC1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5129935 0.87 GPR183 (0.44) NPC1ALDH1A1RAB9AGAAGPR183
SCHEMBL5129547 0.87 NPC1 (0.57) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5012253 0.85 ALDH1A1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5012255 0.85 ALDH1A1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5015766 0.85 HTT (0.48) NPC1ALDH1A1RAB9AMAPTLMNA

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-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-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
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 785/4885ALDH1A1 511/4885RAB9A 2540/4885

“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.