SCHEMBL15082028

SCHEMBL15082028

Cc1cccc(F)c1CN1C2CCC1CC(C(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.47
OPRD1 P41143 4/20 0.47
EED O75530 12/20 0.39
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
SCN8A Q9UQD0 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
SLC6A2 P23975 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL807317 0.92 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL15084341 0.75 OPRM1 (0.58) OPRM1OPRD1EEDOPRK1DRD2
SCHEMBL17084068 0.74 KDM4E (0.47) EED
SCHEMBL15081980 0.74 EED (0.48) EED
SCHEMBL15081961 0.74 KDM4E (0.47) EED
SCHEMBL12384442 0.72 ALDH1A1 (0.53) OPRM1OPRD1OPRK1DRD2DRD4
SCHEMBL27306568 0.70 CHRNB2 (0.40) OPRM1OPRK1OPRL1SLC6A2
SCHEMBL807487 0.70 OPRM1 (0.55) OPRM1OPRD1SCN8A
SCHEMBL806942 0.70 OPRM1 (0.55) OPRM1OPRD1SCN8A
SCHEMBL15081992 0.69 OPRM1 (0.43) OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 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-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 OPRM1 3387/4885OPRD1 2021/4885EED 1580/4885

“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.