SCHEMBL12879264

SCHEMBL12879264

COC1(c2ccc(-c3ncccn3)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.47
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 3/20 0.39
DYRK1A Q13627 1/20 0.37
ADRB2 P07550 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 3/20 0.33
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
HSD11B1 P28845 1/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL3646332 0.78 SCD5 (0.48) CLK4HSD17B10OPRM1OPRD1OPRK1
SCHEMBL1040389 0.75 OPRM1 (0.54) KDM4EHTTHSD17B10ALOX5OPRM1
SCHEMBL1040539 0.75 OPRM1 (0.54) KDM4EHTTHSD17B10ALOX5OPRM1
SCHEMBL16024156 0.75 OPRM1 (0.54) KDM4EHTTHSD17B10ALOX5OPRM1
SCHEMBL12879263 0.75 HRH3 (0.40) CLK4ADRB2OPRM1OPRD1OPRK1
SCHEMBL14899046 0.73 OPRM1 (0.56) KDM4EHTTHSD17B10ALOX5OPRM1
SCHEMBL27887266 0.72 SLC6A3 (0.47) ALOX5OPRM1OPRD1OPRK1OPRL1
SCHEMBL12845017 0.72 ALOX5 (0.38) KDM4EHTTHSD17B10ALOX5OPRM1
SCHEMBL27907651 0.70 OPRM1 (0.38) KDM4EHTTHSD17B10ALOX5OPRM1
SCHEMBL19128530 0.70 OPRM1 (0.38) KDM4EHTTHSD17B10ALOX5OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 CLK4 917/4885KDM4E 671/4885HTT 4789/4885

“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.