SCHEMBL5015754

SCHEMBL5015754

COc1cc(C2=NOC3(CCN(C(=O)C4c5ccccc5Oc5ccccc54)CC3)C2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.49
TSHR P16473 4/20 0.49
LMNA P02545 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
PDE4A P27815 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
SCHEMBL5120699 0.91 HTT (0.38) HTTTSHRLMNAKDM4EALDH1A1
SCHEMBL5015686 0.85 ALDH1A1 (0.49) HTTTSHRLMNAKDM4EALDH1A1
SCHEMBL5129518 0.83 TSHR (0.53) HTTTSHRLMNAKDM4EALDH1A1
SCHEMBL5014536 0.76 NPC1 (0.51) HTTTSHRLMNAALDH1A1TP53
SCHEMBL5012243 0.72 PDGFRB (0.45) TSHRALDH1A1NPSR1KMT2AMAPT
SCHEMBL5124034 0.71 ALDH1A1 (0.46) LMNAKDM4EALDH1A1MAPK1MEN1
SCHEMBL16175695 0.71 GPR183 (0.37) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL5012999 0.71 PTGS2 (0.39) KDM4EALDH1A1MAPK1MAPTHSD17B10
SCHEMBL5131532 0.71 GPR183 (0.39) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3672406 0.70 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 6 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-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP 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 50/4885TSHR 3033/4885LMNA 875/4885

“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.