SCHEMBL22208136

SCHEMBL22208136

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ESR2 Q92731 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.37
AGTR2 P50052 1/20 0.37
HTR2C P28335 1/20 0.36
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACHE P22303 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL22208137 1.00 NR1D1 (0.43) NR1D1OPRM1OPRD1OPRK1ESR2
SCHEMBL22208135 1.00 NR1D1 (0.43) NR1D1OPRM1OPRD1OPRK1ESR2
SCHEMBL30065002 0.89 OPRM1 (0.40) NR1D1OPRM1OPRD1OPRK1ESR2
SCHEMBL26649191 0.80 ESR2 (0.44) OPRM1ESR2DRD2DRD4DRD3
SCHEMBL22208106 0.76 NR1D1 (0.51) NR1D1OPRM1OPRD1OPRK1AGTR2
SCHEMBL22554973 0.76 NR1D1 (0.51) NR1D1OPRM1OPRD1OPRK1AGTR2
SCHEMBL28497319 0.74 F10 (0.43) HTR2CNPSR1TSHR
SCHEMBL14127784 0.73 ESR2 (0.46) OPRM1ESR2MAPTBCHEHTR2C
SCHEMBL22208071 0.70 AGTR2 (0.44) NR1D1OPRM1OPRD1OPRK1AGTR2
SCHEMBL5690573 0.70 L3MBTL1 (0.50) ESR2MAPTBCHECYP2C19

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 4 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-3908283-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-11-17 EP disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS NR1D1 2145/4885OPRM1 4750/4885OPRD1 4708/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS NR1D1 2145/4885OPRM1 4750/4885OPRD1 4708/4885

“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.