SCHEMBL30180963

SCHEMBL30180963

O=C(O)C1CC2(CN1)NC(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ CYP2C19 P33261 3/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ STAT6 P42226 1/20 0.39

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
SCHEMBL25000449 0.90 KMT2A (0.53) KMT2ACYP2C19CNR1L3MBTL1ALDH1A1
SCHEMBL30180663 0.79 GRM2 (0.36) KMT2AALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL21150803 0.75 KMT2A (0.64) KMT2ACYP2C19CNR1ALDH1A1LMNA
SCHEMBL13879509 0.73 KMT2A (0.91) KMT2ACYP2C19ALDH1A1LMNANPC1
SCHEMBL9965983 0.71 KMT2A (0.71) KMT2ACYP2C19CNR1ALDH1A1LMNA
SCHEMBL2907609 0.71 KMT2A (0.62) KMT2ACYP2C19CNR1ALDH1A1LMNA
SCHEMBL21150801 0.71 L3MBTL1 (0.54) KMT2ACYP2C19L3MBTL1ALDH1A1LMNA
SCHEMBL3249503 0.71 KMT2A (0.75) KMT2ACYP2C19CNR1ALDH1A1LMNA
SCHEMBL5317587 0.70 KMT2A (0.69) KMT2ACYP2C19CNR1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL23610493 0.70 KMT2A (0.73) KMT2ACYP2C19CNR1ALDH1A1LMNA

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-20230042042-A1 UNNATURAL AMINO ACIDS AND USES THEREOF DEFENSE THREAT REDUCTION AGENCY, US DOD 2023-02-09 — — 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-20230042042-A1 UNNATURAL AMINO ACIDS AND USES THEREOF DNPEP, BCAT2, BCAT1 KMT2A 1720/4885CYP2C19 3193/4885CNR1 4236/4885

“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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