SCHEMBL1457217

SCHEMBL1457217

COc1cc(CNC(=O)C2=NOC3(CCN(C(=O)NCc4ccc(Cl)c(Cl)c4)CC3)C2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
LMNA P02545 3/20 0.43
P2RY12 Q9H244 1/20 0.40
NPC1 O15118 1/20 0.40
GFER P55789 1/20 0.40
NAMPT P43490 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL1457493 0.93 LMNA (0.52) HRH3LMNAP2RY12NPC1GFER
SCHEMBL1457008 0.92 PDGFRB (0.41) HRH3LMNANPC1NAMPT
SCHEMBL1457095 0.87 NAMPT (0.44) NAMPT
SCHEMBL1456982 0.86 HRH3 (0.48) HRH3LMNAP2RY12NAMPTEPHX2
SCHEMBL1457488 0.85 CYP1A2 (0.46) NPC1GFERNAMPTTSHR
SCHEMBL1457251 0.84 HRH3 (0.47) HRH3LMNAP2RY12NAMPTEPHX2
SCHEMBL5125639 0.84 GPR119 (0.51) LMNANAMPT
SCHEMBL1457435 0.83 HPGD (0.49) HRH3LMNAP2RY12NAMPTEPHX2
SCHEMBL1457242 0.82 HRH3 (0.45) HRH3LMNAP2RY12NAMPTEPHX2
SCHEMBL1456918 0.82 NAMPT (0.44) NAMPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP claimed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP claimed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP disclosed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 HRH3 4411/4885LMNA 421/4885P2RY12 967/4885

“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.