SCHEMBL5124034

SCHEMBL5124034

COc1cc(C2=NOC3(CCN(C(=O)C=Cc4ccc(C(C)(C)C)cc4)CC3)C2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
GPR183 P32249 4/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.40
TRPV1 Q8NER1 2/20 0.39
MAPK1 P28482 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 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
SCHEMBL5131532 0.89 GPR183 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5129547 0.88 NPC1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5130589 0.87 NPC1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5120073 0.85 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5123594 0.84 NPC1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5128851 0.84 HPGD (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5117280 0.84 CYP1A1 (0.36) SMN1; SMN2KMT2AMEN1MAPTGPR183
SCHEMBL5116128 0.83 RAB9A (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5012243 0.83 PDGFRB (0.45) ALDH1A1KMT2AMAPTTRPV1
SCHEMBL16175694 0.82 RIPK2 (0.35) ALDH1A1RAB9ASMN1; SMN2HPGDKMT2A

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 3 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

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 ALDH1A1 511/4885NPC1 785/4885RAB9A 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.