SCHEMBL5050634

SCHEMBL5050634

C=CCOC(=O)CC(=O)COCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.45
APEX1 P27695 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GLA P06280 1/20 0.43
BRCA1 P38398 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10560652 0.85 NPSR1 (0.67) NPSR1SMN1; SMN2POLBTDP1MEN1
SCHEMBL4985915 0.84 HSD17B10 (0.50) NPSR1SMN1; SMN2POLBAPEX1HSD17B10
SCHEMBL4983346 0.82 HSD17B10 (0.53) NPSR1SMN1; SMN2POLBAPEX1HSD17B10
SCHEMBL9760318 0.82 HSD17B10 (0.48) NPSR1SMN1; SMN2POLBAPEX1HSD17B10
SCHEMBL7272170 0.81 SMN1; SMN2 (0.46) SMN1; SMN2POLBAPEX1HSD17B10TDP1
SCHEMBL10766778 0.81 SMN1; SMN2 (0.46) SMN1; SMN2POLBAPEX1HSD17B10TDP1
SCHEMBL4985724 0.81 L3MBTL1 (0.48) NPSR1SMN1; SMN2POLBAPEX1HSD17B10
SCHEMBL10768404 0.80 POLB (0.46) NPSR1SMN1; SMN2POLBAPEX1HSD17B10
SCHEMBL3183400 0.79 SMN1; SMN2 (0.55) NPSR1SMN1; SMN2POLBAPEX1HSD17B10
SCHEMBL9760740 0.79 HSD17B10 (0.46) SMN1; SMN2POLBAPEX1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562983-B1 Prepare alkyl-4-(2(phthalimido)-ethoxy)-acetoacetate which are useful in the manufacture of anti-hypertensive and anti-ischaemic drugs by reacting 2(phthalimido)-ethoxyacetic acid with thionyl chloride COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-05-13 US claimed
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-6562983-B1 Prepare alkyl-4-(2(phthalimido)-ethoxy)-acetoacetate which are useful in the manufacture of anti-hypertensive and anti-ischaemic drugs by reacting 2(phthalimido)-ethoxyacetic acid with thionyl chloride COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-05-13 US disclosed
US-6562983-B1 Prepare alkyl-4-(2(phthalimido)-ethoxy)-acetoacetate which are useful in the manufacture of anti-hypertensive and anti-ischaemic drugs by reacting 2(phthalimido)-ethoxyacetic acid with thionyl chloride COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-05-13 US disclosed
US-6562983-B1 Prepare alkyl-4-(2(phthalimido)-ethoxy)-acetoacetate which are useful in the manufacture of anti-hypertensive and anti-ischaemic drugs by reacting 2(phthalimido)-ethoxyacetic acid with thionyl chloride COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-05-13 US 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 NPSR1 2506/4885SMN1; SMN2 4804/4885POLB 4311/4885
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C NPSR1 976/4885SMN1; SMN2 4736/4885POLB 4099/4885
US-20030220501-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C NPSR1 1291/4885SMN1; SMN2 4702/4885POLB 3972/4885
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor CACNA1D, CACNA1F, CACNA1S NPSR1 1254/4885SMN1; SMN2 4601/4885POLB 4340/4885
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR CACNA1D, CACNA1F, CYP51A1 NPSR1 2924/4885SMN1; SMN2 4778/4885POLB 3828/4885

“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.