SCHEMBL18202377

SCHEMBL18202377

COCCOC(=O)c1cncn1C(C)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.76
▸ GABRB2 P47870 6/20 0.76
▸ CYP1A2 P05177 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ CYP11B1 P15538 2/20 0.76
▸ CYP11B2 P19099 2/20 0.76
▸ LMNA P02545 1/20 0.76
▸ CYP2C9 P11712 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ ABCB11 O95342 1/20 0.76
▸ GABRA2 P47869 1/20 0.76
▸ MAPK1 P28482 2/20 0.71
▸ ALDH1A1 P00352 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ GPBAR1 Q8TDU6 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TSHR P16473 1/20 0.44
▸ TP53 P04637 1/20 0.38

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
SCHEMBL18202375 1.00 GABRA1 (0.76) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL18202376 1.00 GABRA1 (0.76) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL28190883 0.91 GABRA1 (0.69) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL28190884 0.91 GABRA1 (0.69) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL4390789 0.89 GABRA1 (0.77) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Propoxate SCHEMBL1817957 0.89 GABRA1 (0.81) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL28853680 0.89 GABRA1 (0.77) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL28190853 0.89 GABRA1 (0.69) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL28190851 0.89 GABRA1 (0.69) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Hydrochloric Acid SCHEMBL11368079 0.88 GABRA1 (0.58) GABRA1GABRB2CYP1A2CYP3A4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969695-B2 N-substituted imidazole carboxylic ester chiral compound containing an ether side chain, its preparation and application WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2018-05-15 — — US disclosed
US-9969695-B2 N-substituted imidazole carboxylic ester chiral compound containing an ether side chain, its preparation and application WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2018-05-15 — — US disclosed
US-20170001963-A1 N-Substituted Imidazole Carboxylic Ester Chiral Compound Containing an Ether Side Chain, Its Preparation and Application WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2017-01-05 — — US disclosed
US-20170001963-A1 N-Substituted Imidazole Carboxylic Ester Chiral Compound Containing an Ether Side Chain, Its Preparation and Application WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2017-01-05 — — US disclosed
EP-3088394-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLIC ESTER CHIRAL COMPOUND CONTAINING ETHER SIDE CHAIN, PREPARATION METHOD AND APPLICATION West China Hospital, Sichuan University (CN) 2016-11-02 — — EP 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-20170001963-A1 N-Substituted Imidazole Carboxylic Ester Chiral Compound Containing an Ether Side Chain, Its Preparation and Application CRH, CYP4A11, CYP3A43 GABRA1 32/4885GABRB2 146/4885CYP1A2 48/4885

“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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