SCHEMBL22259486

SCHEMBL22259486

COC(=O)OC(C)(C)OC(=O)c1cncn1[C@H](C)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.73
▸ GABRA1 P14867 7/20 0.63
▸ GABRB2 P47870 6/20 0.63
▸ CYP1A2 P05177 3/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ CYP11B1 P15538 2/20 0.63
▸ CYP11B2 P19099 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ ABCB11 O95342 1/20 0.63
▸ GABRA2 P47869 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ GPBAR1 Q8TDU6 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP26A1 O43174 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 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
SCHEMBL22259538 0.91 MAPK1 (0.63) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22259537 0.89 GABRA1 (0.75) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22756042 0.88 MAPK1 (0.72) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22696701 0.88 MAPK1 (0.72) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL15125296 0.87 MAPK1 (0.72) MAPK1GABRA1GABRB2CYP1A2CYP3A4
Metomidate SCHEMBL491910 0.86 MAPK1 (0.97) MAPK1GABRA1GABRB2CYP1A2CYP3A4
Metomidate SCHEMBL4377172 0.86 MAPK1 (0.97) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL5103242 0.85 MAPK1 (0.69) MAPK1GABRA1GABRB2CYP1A2CYP3A4
Metomidate SCHEMBL1845324 0.85 MAPK1 (1.00) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22696793 0.84 MAPK1 (0.67) MAPK1GABRA1GABRB2CYP1A2CYP3A4

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
EP-3587403-B1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE WEST CHINA HOSPITAL SICHUAN UNIV (CN) 2023-08-23 — — EP disclosed
US-11208385-B2 N-substituted imidazole carboxylate compound, preparation method and use WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2021-12-28 — — US disclosed
US-20200231546-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2020-07-23 — — 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-11208385-B2 N-substituted imidazole carboxylate compound, preparation method and use NR3C1, CYP2E1, CYP3A5 MAPK1 988/4885GABRA1 25/4885GABRB2 114/4885
US-20200231546-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE CHRM1, CYP2C18, CYP2E1 MAPK1 1819/4885GABRA1 11/4885GABRB2 53/4885

“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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