SCHEMBL18700879

SCHEMBL18700879

CCOC[C@@H]1CCCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
OPRD1 P41143 1/20 0.51
OPRL1 P41146 1/20 0.49
VEGFA P15692 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
SPHK2 Q9NRA0 2/20 0.49
SPHK1 Q9NYA1 2/20 0.49
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL18700880 1.00 FAAH (0.53) FAAHOPRD1OPRL1VEGFAEGLN1
SCHEMBL3566467 0.86 ALDH1A1 (0.54) FAAHSPHK2SPHK1HDAC8HDAC6
SCHEMBL13343697 0.86 HDAC8 (0.51) FAAHSPHK2SPHK1HDAC8HDAC6
SCHEMBL3563591 0.86 HDAC8 (0.51) FAAHSPHK2SPHK1HDAC8HDAC6
SCHEMBL13343700 0.86 ALDH1A1 (0.54) FAAHSPHK2SPHK1HDAC8HDAC6
SCHEMBL18801723 0.85 VEGFA (0.63) FAAHVEGFAEGLN1SPHK2SPHK1
SCHEMBL791665 0.85 VEGFA (0.63) FAAHVEGFAEGLN1SPHK2SPHK1
SCHEMBL14395220 0.83 MAPK1 (0.54) FAAHOPRD1SPHK2SPHK1
SCHEMBL11990426 0.83 MAPK1 (0.54) FAAHOPRD1SPHK2SPHK1
SCHEMBL14779735 0.82 FAAH (0.50) FAAHOPRL1VEGFAEGLN1SPHK2

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-10351530-B2 Arylcyclohexyl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-16 US disclosed
US-10351530-B2 Arylcyclohexyl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-16 US disclosed
US-20180282283-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-10-04 US disclosed
EP-3371167-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-09-12 EP disclosed
WO-2017060855-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060855-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO 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 (2 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-20180282283-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 FAAH 3300/4885OPRD1 886/4885OPRL1 1918/4885
US-10351530-B2 Arylcyclohexyl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 FAAH 3300/4885OPRD1 886/4885OPRL1 1918/4885

“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.