SCHEMBL1345818

SCHEMBL1345818

NC(=O)c1cccc(-c2ccc(CNCCc3ccccc3)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.49
OPRD1 P41143 6/20 0.49
OPRK1 P41145 6/20 0.49
ROCK1 Q13464 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
FAAH O00519 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
MAPK13 O15264 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
SCHEMBL1345429 0.90 FLT1 (0.49) OPRM1OPRD1OPRK1ROCK1FAAH
SCHEMBL1347867 0.83 OPRM1 (0.62) OPRM1OPRD1OPRK1ROCK1GRIN2D
SCHEMBL3341545 0.83 OPRM1 (0.62) OPRM1OPRD1OPRK1ROCK1GRIN2D
SCHEMBL1347785 0.82 FYN (0.45) OPRM1OPRD1OPRK1ROCK1CDC7
SCHEMBL1347915 0.81 HDAC1 (0.54) OPRM1OPRD1OPRK1ROCK1GRIN2D
SCHEMBL1347617 0.80 FAAH (0.48) OPRM1OPRD1OPRK1ROCK1GRIN2D
SCHEMBL1345801 0.79 HDAC6 (0.43) OPRM1OPRD1ROCK1KCNH2FAAH
SCHEMBL1347972 0.79 FAAH (0.47) OPRM1OPRD1OPRK1ROCK1GRIN2D
SCHEMBL1347527 0.79 FAAH (0.47) OPRM1OPRD1OPRK1ROCK1GRIN2D
SCHEMBL3957423 0.78 OPRM1 (0.63) OPRM1OPRD1OPRK1ROCK1GRIN2D

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
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 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 (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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 4/4885

“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.