SCHEMBL5120699

SCHEMBL5120699

COc1cc(C2=NOC3(CCN(C(=O)C4c5ccccc5-c5ccccc54)CC3)C2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPY5R Q15761 1/20 0.36
KMT2A Q03164 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.36
FFAR2 O15552 1/20 0.35

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
SCHEMBL5015754 0.91 HTT (0.49) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL5014536 0.84 NPC1 (0.51) HTTALDH1A1MAPTLMNATSHR
SCHEMBL5015686 0.76 ALDH1A1 (0.49) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL5012243 0.74 PDGFRB (0.45) ALDH1A1MAPTTSHRKMT2A
SCHEMBL5129518 0.73 TSHR (0.53) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL5124034 0.72 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL5012999 0.72 PTGS2 (0.39) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL16175695 0.72 GPR183 (0.37) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL5131532 0.72 GPR183 (0.39) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL3672406 0.71 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
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 HTT 50/4885ALDH1A1 511/4885MAPT 161/4885

“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.