SCHEMBL22554973

SCHEMBL22554973

O=C1CC(COCc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.51
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
AGTR2 P50052 1/20 0.41
LMNA P02545 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
DPP4 P27487 1/20 0.39
BUB1 O43683 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM5 P41594 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL22208106 1.00 NR1D1 (0.51) NR1D1OPRM1OPRD1OPRK1AGTR2
SCHEMBL29007899 0.85 NR1D1 (0.46) NR1D1OPRM1OPRD1OPRK1DPP4
SCHEMBL28795613 0.85 NR1D1 (0.46) NR1D1OPRM1OPRD1OPRK1DPP4
SCHEMBL28795615 0.85 NR1D1 (0.46) NR1D1OPRM1OPRD1OPRK1DPP4
SCHEMBL22208137 0.76 NR1D1 (0.43) NR1D1OPRM1OPRD1OPRK1AGTR2
SCHEMBL22208136 0.76 NR1D1 (0.43) NR1D1OPRM1OPRD1OPRK1AGTR2
SCHEMBL22208135 0.76 NR1D1 (0.43) NR1D1OPRM1OPRD1OPRK1AGTR2
SCHEMBL15811762 0.76 ABHD6 (0.56) NR1D1ABHD6DAGLADPP4
SCHEMBL6360197 0.76 ABHD6 (0.56) NR1D1ABHD6DAGLADPP4
SCHEMBL19617254 0.76 ABHD6 (0.56) NR1D1ABHD6DAGLADPP4

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 3 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
CN-114805311-A Spirocyclic indenes 苏州亚盛药业有限公司 2022-07-29 CN disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 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 (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.