SCHEMBL4385768

SCHEMBL4385768

C[C@H](c1ccccc1)n1cncc1C(=O)OCCF

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.76
▸ GABRB2 P47870 6/20 0.76
▸ CYP1A2 P05177 3/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ CYP11B1 P15538 2/20 0.76
▸ CYP11B2 P19099 2/20 0.76
▸ LMNA P02545 2/20 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 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ GPBAR1 Q8TDU6 4/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CYP2D6 P10635 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL11939894 1.00 GABRA1 (0.76) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL5090886 1.00 GABRA1 (0.76) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL4390789 0.91 GABRA1 (0.77) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL28853680 0.91 GABRA1 (0.77) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Propoxate SCHEMBL1817957 0.89 GABRA1 (0.81) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL12786511 0.88 GABRA1 (0.76) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Propoxate SCHEMBL10695613 0.88 GABRA1 (0.80) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22755916 0.88 GABRA1 (0.76) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696745 0.88 GABRA1 (0.76) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL18202377 0.88 GABRA1 (0.76) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071785-B2 Synthesis and evaluation of 18F-labelled-alkyl-1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate as a tracer for the quantification of β-11-hydroxylase enzyme in the adrenal glands GE HEALTHCARE LIMITED (GB) 2011-12-06 — — US disclosed
US-20090297447-A1 SYNTHESIS AND EVALUATION OF 18F-LABELLED-ALKYL-1-[(1R)-1-PHENYLETHYL]-1H-IMIDAZOLE-5-CARBOXYLATE AS A TRACER FOR THE QUANTIFICATION OF BETA-11-HYDROXYLASE ENZYME IN THE ADRENAL GLANDS LANGSTROM BENGT 2009-12-03 — — US disclosed
US-20080206138-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 — — US disclosed
US-20080206138-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 — — US disclosed
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 — — US disclosed
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 — — US disclosed
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 — — US disclosed
US-20080206138-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 — — 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 (3 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-20090297447-A1 SYNTHESIS AND EVALUATION OF 18F-LABELLED-ALKYL-1-[(1R)-1-PHENYLETHYL]-1H-IMIDAZOLE-5-CARBOXYLATE AS A TRACER FOR THE QUANTIFICATION OF BETA-11-HYDROXYLASE ENZYME IN THE ADRENAL GLANDS HSD11B1, CYP21A2, CYP11B1 GABRA1 828/4885GABRB2 1953/4885CYP1A2 124/4885
US-20080206138-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives CYP11B1, CYP21A2, CYP17A1 GABRA1 264/4885GABRB2 947/4885CYP1A2 43/4885
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives PAICS, PIGO, GRPR GABRA1 166/4885GABRB2 791/4885CYP1A2 2318/4885

“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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