SCHEMBL22555092

SCHEMBL22555092

O=C(O)N1CC(CCO)C[C@H]1COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.48
NR1D1 P20393 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
GRM5 P41594 1/20 0.37
NAAA Q02083 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL28795513 0.85 AGTR2 (0.43) AGTR2NR1D1OPRM1OPRD1OPRK1
SCHEMBL28795653 0.82 AGTR2 (0.45) AGTR2NR1D1CTSLCTSBCTSK
SCHEMBL22555190 0.82 AGTR2 (0.46) AGTR2NR1D1CTSLCTSBCTSK
SCHEMBL4297034 0.82 AGTR2 (0.46) AGTR2NR1D1CTSLCTSBCTSK
SCHEMBL6975692 0.82 AGTR2 (0.46) AGTR2NR1D1CTSLCTSBCTSK
SCHEMBL4294638 0.81 AGTR2 (0.46) AGTR2NR1D1CTSLCTSBCTSK
SCHEMBL6978115 0.81 AGTR2 (0.46) AGTR2NR1D1CTSLCTSBCTSK
SCHEMBL22208071 0.80 AGTR2 (0.44) AGTR2NR1D1CTSLCTSBCTSK
SCHEMBL22208207 0.79 AGTR2 (0.43) AGTR2
SCHEMBL6978153 0.75 AGTR2 (0.41) AGTR2NR1D1CTSLCTSBCTSK

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 AGTR2 1536/4885NR1D1 2145/4885CTSL 2262/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS AGTR2 1536/4885NR1D1 2145/4885CTSL 2262/4885

“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.