SCHEMBL27148100

SCHEMBL27148100

CC(C)OCCn1cnc(=O)c2[nH]ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ HPRT1 P00492 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ TGFBR2 P37173 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28310794 0.79 OPRM1 (0.43) OPRM1MPO
Verdiperstat SCHEMBL23225670 0.74 MPO (0.58) OPRM1MPOALDH1A1CYP1A2CYP2C9
SCHEMBL1023806 0.69 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMEN1KMT2AHTT
Verdiperstat SCHEMBL1536607 0.68 MPO (1.00) OPRM1MPO
SCHEMBL29879357 0.66 MPO (0.70) OPRM1MPO
SCHEMBL30111084 0.65 KMT2A (0.66) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23218012 0.63 MPO (0.55) OPRM1MPOALDH1A1CYP1A2CYP2C9
SCHEMBL30426035 0.63 MPO (0.51) OPRM1MPOALDH1A1CYP1A2CYP2C9
SCHEMBL24066366 0.62 PKM (0.54) L3MBTL1
SCHEMBL24166094 0.62 TNF (0.57) SMN1; SMN2LMNAMEN1KMT2AHTT

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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 — — 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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 OPRM1 1161/4885MPO 1/4885HPRT1 468/4885

“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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