SCHEMBL4185722

SCHEMBL4185722

CC[C@@](N[C@@H](C)C(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KIF11 P52732 3/20 0.40
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
OPRM1 P35372 2/20 0.37
CACNA1F O60840 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP2B6 P20813 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL5311804 1.00 MAPT (0.42) MAPTCYP1A2CYP2D6KIF11MEN1
SCHEMBL2089895 0.87 MAPT (0.43) MAPTCYP1A2CYP2D6KIF11GRIN2D
SCHEMBL2089897 0.87 MAPT (0.43) MAPTCYP1A2CYP2D6KIF11GRIN2D
SCHEMBL2089894 0.87 MAPT (0.43) MAPTCYP1A2CYP2D6KIF11GRIN2D
SCHEMBL6820052 0.79 KIF11 (0.41) MAPTCYP1A2CYP2D6KIF11MEN1
SCHEMBL14306296 0.78 KCNN4 (0.43) MAPTCYP1A2CYP2D6KIF11MEN1
SCHEMBL4450821 0.78 KCNN4 (0.43) MAPTCYP1A2CYP2D6KIF11MEN1
SCHEMBL4943741 0.76 CYP1A2 (0.46) MAPTCYP1A2CYP2D6KIF11MEN1
SCHEMBL9037241 0.75 KCNN4 (0.45) MAPTCYP1A2CYP2D6KIF11MEN1
SCHEMBL11128706 0.75 KCNN4 (0.45) MAPTCYP1A2CYP2D6KIF11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482361-B2 Crystalline form for quinapril hydrochloride and process for preparing the same LUPIN LIMITED (IN) 2009-01-27 US disclosed
US-RE39888-E1 Process for obtaining quinapryl hydrochloride and solvates useful for isolating and purifying quinapryl hydrochloride ESTEVE QUIMICA, S.A. (ES) 2007-10-16 US disclosed
EP-1572661-B1 CRYSTALLINE FORM OF QUINAPRIL HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME LUPIN LTD (IN) 2007-04-25 EP disclosed
US-20060058347-A1 Crystalline form for quinapril hydrochloride and process for preparing the same LUPIN LIMITED (IN) 2006-03-16 US disclosed
EP-0992495-B1 PROCESS FOR OBTAINING QUINAPRYL HYDROCHLORIDE AND SOLVATES USEFUL FOR ISOLATING AND PURIFYING QUINAPRYL HYDROCHLORIDE ESTEVE QUIMICA SA (ES) 2004-02-04 EP disclosed
US-6617457-B1 Hydrogenolysis of the benzyl ester of quinapril in an alcoholic solvent, with hydrochloric acid and hydrogenation; removal of the solvent; addition of toluene to precipitate the product as a solvate ESTEVE QUIMICA, S.A. (ES) 2003-09-09 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-20060058347-A1 Crystalline form for quinapril hydrochloride and process for preparing the same ADH1C, NPPA, ADH1A MAPT 2181/4885CYP1A2 49/4885CYP2D6 7/4885

“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.