SCHEMBL5065087

SCHEMBL5065087

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.33
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1933921 0.96 TSHR (0.43) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL4767550 0.88 TSHR (0.48) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL2552585 0.82 TSHR (0.46) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL7690120 0.80 TSHR (0.43) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL464860 0.79
SCHEMBL57069 0.79 TSHR (0.52) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL4850215 0.78 TSHR (0.50) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL10405739 0.78 TSHR (0.44) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL8865453 0.77 TSHR (0.50) TSHRTDP1MAPTCACNA1BAPBA1
Lithium SCHEMBL31366079 0.77 TSHR (0.50) TSHRTDP1MAPTCACNA1BAPBA1

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 TSHR 4628/4885TDP1 3769/4885MAPT 957/4885
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C TSHR 3728/4885TDP1 3873/4885MAPT 3435/4885
US-20030220501-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C TSHR 3984/4885TDP1 3434/4885MAPT 3498/4885
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor CACNA1D, CACNA1F, CACNA1S TSHR 3058/4885TDP1 2276/4885MAPT 2410/4885
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR CACNA1D, CACNA1F, CYP51A1 TSHR 4586/4885TDP1 2913/4885MAPT 2593/4885

“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.