SCHEMBL30065002

SCHEMBL30065002

CCOC(=O)C=C1C[C@@H](COCc2ccccc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
NR1D1 P20393 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.38
ABCB1 P08183 1/20 0.37
KLK7 P49862 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
ESR2 Q92731 1/20 0.36
GHSR Q92847 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
SYK P43405 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
HTR2C P28335 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL22208136 0.89 NR1D1 (0.43) OPRM1OPRD1OPRK1NR1D1ESR2
SCHEMBL22208135 0.89 NR1D1 (0.43) OPRM1OPRD1OPRK1NR1D1ESR2
SCHEMBL22208137 0.89 NR1D1 (0.43) OPRM1OPRD1OPRK1NR1D1ESR2
SCHEMBL28795613 0.80 NR1D1 (0.46) OPRM1OPRD1OPRK1NR1D1MEN1
SCHEMBL28795615 0.80 NR1D1 (0.46) OPRM1OPRD1OPRK1NR1D1MEN1
SCHEMBL29007899 0.80 NR1D1 (0.46) OPRM1OPRD1OPRK1NR1D1MEN1
SCHEMBL30181040 0.79 NR1D1 (0.45) OPRM1OPRD1OPRK1NR1D1MEN1
SCHEMBL28549464 0.78 PARP1 (0.46) OPRM1OPRD1OPRK1NR1D1PARP1
SCHEMBL26649191 0.76 ESR2 (0.44) OPRM1ESR2DRD2DRD4DRD3
SCHEMBL9602685 0.76 PTPN1 (0.43) ABCB1KLK7

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-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS OPRM1 4750/4885OPRD1 4708/4885OPRK1 4740/4885

“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.