SCHEMBL30541701

SCHEMBL30541701

O=C1COc2ccc(C(=O)N3CCC(O)(Cc4ccccc4)CC3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 6/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ PKLR P30613 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ PKM P14618 1/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ AVPR1A P37288 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ NR3C1 P04150 1/20 0.46

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
SCHEMBL21097701 1.00 NR3C2 (0.54) NR3C2ALDH1A1MAPTPKLRGAA
SCHEMBL30541719 0.83 ALDH1A1 (0.63) NR3C2ALDH1A1MAPTGAALMNA
SCHEMBL21074864 0.83 ALDH1A1 (0.63) NR3C2ALDH1A1MAPTGAALMNA
SCHEMBL21061872 0.82 MGLL (0.59) NR3C2ALDH1A1GAALMNAMGLL
SCHEMBL30541708 0.82 MGLL (0.59) NR3C2ALDH1A1GAALMNAMGLL
SCHEMBL21098096 0.80 MGLL (0.57) NR3C2ALDH1A1MAPTGAALMNA
SCHEMBL30541689 0.79 ALDH1A1 (0.54) NR3C2ALDH1A1MAPTLMNAPARP1
SCHEMBL21061733 0.79 ALDH1A1 (0.54) NR3C2ALDH1A1MAPTLMNAPARP1
SCHEMBL21098290 0.79 MGLL (0.50) NR3C2ALDH1A1MAPTGAALMNA
SCHEMBL14072961 0.79 NR3C2 (0.61) NR3C2ALDH1A1MAPTGAALMNA

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-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-06-15 — — 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-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, LIPC, PNLIP NR3C2 2686/4885ALDH1A1 800/4885MAPT 4734/4885

“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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