SCHEMBL5065076

SCHEMBL5065076

C=CCOC(=O)C(C(C)=O)C(=O)CCl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.33
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32

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
SCHEMBL1042982 0.85 TDP1 (0.42) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL10830642 0.85 TDP1 (0.42) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL7690118 0.79 TDP1 (0.39) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL4983762 0.77 ALDH1A1 (0.41) MAPTALDH1A1
SCHEMBL14745750 0.76 CYP3A4 (0.45) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL3871245 0.73 TSHR (0.35) TDP1TSHR
SCHEMBL2036556 0.73 TDP1 (0.40) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL7573520 0.72 TDP1 (0.42) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL6483817 0.71 TDP1 (0.44) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL5227209 0.71 TDP1 (0.41) MAPTTDP1ALDH1A1TSHRCYP3A4

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 10 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-20030220501-A1 Process for making amlodipine, derivatives thereof, and precursors therefor SYNTHON IP INC. 2003-11-27 US disclosed
US-6653481-B2 Used as calcium channel blockers SYNTHON BV (NL) 2003-11-25 US disclosed
EP-1345901-A2 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR Bioorganics B.V. (NL) 2003-09-24 EP disclosed
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor SYNTHON IP INC. 2002-10-03 US disclosed
WO-2002053535-A2 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR BIOORGANICS B.V. (NL) 2002-07-11 WO 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 (5 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 MAPT 957/4885TDP1 3769/4885ALDH1A1 1591/4885
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C MAPT 3435/4885TDP1 3873/4885ALDH1A1 1269/4885
US-20030220501-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C MAPT 3498/4885TDP1 3434/4885ALDH1A1 677/4885
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor CACNA1D, CACNA1F, CACNA1S MAPT 2410/4885TDP1 2276/4885ALDH1A1 1332/4885
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR CACNA1D, CACNA1F, CYP51A1 MAPT 2593/4885TDP1 2913/4885ALDH1A1 908/4885

“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.