SCHEMBL30426035

SCHEMBL30426035

CC(C)OCCn1c(=S)ncc2[nH]ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PLK1 P53350 1/20 0.31
▸ HPGD P15428 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ALOX12 P18054 1/20 0.30

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
Verdiperstat SCHEMBL23225670 0.64 MPO (0.58) MPOOPRM1ALDH1A1GAACYP1A2
SCHEMBL23218012 0.63 MPO (0.55) MPOOPRM1ALDH1A1GAACYP1A2
SCHEMBL27148100 0.63 OPRM1 (0.51) MPOOPRM1RAB9AALDH1A1GAA
SCHEMBL23225621 0.61 MPO (0.55) MPOOPRM1ALDH1A1CYP1A2CYP2C9
SCHEMBL29879357 0.61 MPO (0.70) MPOOPRM1
SCHEMBL12085953 0.59 MEN1 (0.53) CYP1A2CYP2C19MEN1KMT2AKDM4E
SCHEMBL1776521 0.59 MPO (0.61) MPOOPRM1ALDH1A1GAACYP1A2
SCHEMBL28896613 0.56 MPO (0.61) MPOOPRM1RAB9AALDH1A1GAA
SCHEMBL30897384 0.56 SMN1; SMN2 (0.47) RAB9AALDH1A1GAAKMT2AHPGD
SCHEMBL11913948 0.55 CA1 (0.64) ALDH1A1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-13 — — 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-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 MPO 311/4885OPRM1 2196/4885RAB9A 3946/4885

“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.

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