SCHEMBL4986252

SCHEMBL4986252

CCOC(=O)C1=C(C)NC(COCCN2C(=O)c3ccccc3C2=O)=C(C(=O)OC)C1c1ccccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.75
ADRA1A P35348 3/20 0.75
SLC6A3 Q01959 3/20 0.75
ABCB11 O95342 3/20 0.75
ADORA3 P0DMS8 3/20 0.75
HTR1A P08908 2/20 0.75
ADRA2A P08913 2/20 0.75
CHRM1 P11229 2/20 0.75
DRD1 P21728 2/20 0.75
SLC6A2 P23975 2/20 0.75
OPRM1 P35372 2/20 0.75
DRD3 P35462 2/20 0.75
KCNH2 Q12809 2/20 0.75
ABCB1 P08183 2/20 0.75
ADRB3 P13945 2/20 0.75
OPRK1 P41145 2/20 0.75
SCN5A Q14524 2/20 0.75
CACNA1C Q13936 2/20 0.75
KCNK2 O95069 1/20 0.75
ADRB2 P07550 1/20 0.75

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
SCHEMBL3185862 1.00 TBXA2R (0.75) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL31473037 1.00 TBXA2R (0.75) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL4990358 0.97 TBXA2R (0.68) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL5474815 0.96 ABCB11 (0.67) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL7291275 0.94 TBXA2R (0.66) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL7286145 0.93 TBXA2R (0.64) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL3176152 0.92 TBXA2R (0.61) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL5474821 0.91 TBXA2R (0.61) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL3186546 0.91 TBXA2R (0.61) TBXA2RADRA1ASLC6A3ABCB11ADORA3
SCHEMBL14263736 0.91 TBXA2R (0.61) TBXA2RADRA1ASLC6A3ABCB11ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR SLANINA PAVEL 2008-03-20 US disclosed
US-20060167265-A1 Process for making amlodipine, derivatives thereof, and precursors therefor PETERS THEODORUS H 2006-07-27 US disclosed
EP-1577298-A1 Process for determining the purity of amlodipine Bioorganics B.V. (NL) 2005-09-21 EP disclosed
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor PETERS THEODORUS H A (NL) 2005-06-23 US disclosed
US-6858738-B2 Process for making amlodipine, derivatives thereof, and precursors therefor SYNTHON BV (NL) 2005-02-22 US disclosed
US-6653481-B2 Used as calcium channel blockers SYNTHON BV (NL) 2003-11-25 US disclosed
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor SYNTHON IP INC. 2002-10-03 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 (4 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-20060167265-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CYP4A11, CYP4F11, CACNA1D TBXA2R 2231/4885ADRA1A 1686/4885SLC6A3 3639/4885
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C TBXA2R 245/4885ADRA1A 199/4885SLC6A3 4429/4885
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor CACNA1D, CACNA1F, CACNA1S TBXA2R 173/4885ADRA1A 163/4885SLC6A3 4533/4885
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR CACNA1D, CACNA1F, CYP51A1 TBXA2R 737/4885ADRA1A 711/4885SLC6A3 3562/4885

“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.