SCHEMBL12634014

SCHEMBL12634014

c1cc(CCNCc2ccc(Oc3ccc4nc[nH]c4c3)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
MMP12 P39900 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
ROCK1 Q13464 1/20 0.41
QPCT Q16769 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 1/20 0.40
QPCTL Q9NXS2 2/20 0.39
SLC40A1 Q9NP59 1/20 0.39
P2RX3 P56373 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
SCHEMBL12634027 0.92 MMP12 (0.48) MMP12QPCTQPCTLP2RX3
SCHEMBL12634006 0.90 OPRM1 (0.54) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL12634046 0.89 L3MBTL1 (0.54) LTA4HEPHX2MMP12OPRM1OPRD1
SCHEMBL12633977 0.89 LTA4H (0.58) ALDH1A1KDM4ELTA4HEPHX2MMP12
SCHEMBL12633979 0.89 QPCT (0.48) LTA4HEPHX2MMP12OPRM1OPRD1
SCHEMBL12634004 0.87 CDK1 (0.45) ALDH1A1LTA4HEPHX2OPRM1OPRD1
SCHEMBL12633992 0.85 CA1 (0.57) OPRM1OPRD1OPRK1
SCHEMBL12634047 0.84 QPCT (0.47) LTA4HEPHX2MMP12OPRM1OPRD1
SCHEMBL12634009 0.84 QPCT (0.45) ALDH1A1KDM4ELTA4HEPHX2MMP12
SCHEMBL12633954 0.83 LTA4H (0.48) KDM4ELTA4HEPHX2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 ALDH1A1 1161/4885KDM4E 2700/4885GLA 4234/4885

“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.