SCHEMBL1456982

SCHEMBL1456982

O=C(NCc1ccc(Cl)cc1)C1=NOC2(CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
EPHX2 P34913 2/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 2/20 0.43
PKM P14618 1/20 0.42
CXCR3 P49682 2/20 0.42
ERN1 O75460 1/20 0.41
P2RY12 Q9H244 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KIT P10721 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL1457242 0.90 HRH3 (0.45) HRH3EPHX2KMT2ALMNAMEN1
SCHEMBL1457251 0.90 HRH3 (0.47) HRH3EPHX2KMT2ALMNAMEN1
SCHEMBL1457103 0.90 NPC1 (0.45) EPHX2KMT2ALMNAMEN1RECQL
SCHEMBL1457493 0.88 LMNA (0.52) HRH3EPHX2KMT2ALMNAMEN1
SCHEMBL1457435 0.87 HPGD (0.49) HRH3EPHX2KMT2ALMNAMEN1
SCHEMBL1457217 0.86 HRH3 (0.45) HRH3EPHX2LMNANAMPTP2RY12
SCHEMBL1457198 0.85 NAMPT (0.48) LMNANAMPTALDH1A1
Formamide SCHEMBL5115801 0.84 CXCR3 (0.47) CXCR3ERN1
SCHEMBL1457327 0.84 HPGD (0.47) KMT2ALMNAHTTSMN1; SMN2NAMPT
Formamide SCHEMBL5118917 0.82 SMN1; SMN2 (0.43) KMT2ALMNAMEN1HTTRECQL

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 7 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
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 4411/4885EPHX2 1779/4885KMT2A 4068/4885

“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.