SCHEMBL6732477

SCHEMBL6732477

CCOC(=O)C1=C(OCCN)N(C)C(C)=C(C(=O)OC)C1c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.58
ADRA1A P35348 3/20 0.58
SLC6A3 Q01959 3/20 0.58
HTR1A P08908 2/20 0.58
ADRA2A P08913 2/20 0.58
CHRM1 P11229 2/20 0.58
DRD1 P21728 2/20 0.58
SLC6A2 P23975 2/20 0.58
OPRM1 P35372 2/20 0.58
DRD3 P35462 2/20 0.58
KCNH2 Q12809 2/20 0.58
ABCB11 O95342 2/20 0.58
ABCB1 P08183 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
ADRB3 P13945 2/20 0.58
OPRK1 P41145 2/20 0.58
SCN5A Q14524 2/20 0.58
KCNK2 O95069 1/20 0.58
ADRB2 P07550 1/20 0.58
DRD2 P14416 1/20 0.58

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
SCHEMBL28403562 1.00 TBXA2R (0.58) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL28488243 0.93 GAA (0.53) TBXA2RADRA1ASLC6A3HTR1AADRA2A
Hydrochloric Acid SCHEMBL28497871 0.92 GAA (0.52) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL29259269 0.90 GAA (0.48) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL28488906 0.88 GAA (0.48) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL19687545 0.84 TBXA2R (0.66) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL28356025 0.84 CYP2C9 (0.50) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL28342075 0.83 KDM4E (0.55) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL11130109 0.83 TBXA2R (0.42) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL14987090 0.80 TSHR (0.74) TBXA2RADRA1ASLC6A3ABCB11ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784297-B2 CONDENSING PHTHALIC ANHYDRIDE AND ETHANOLAMINE, COUPLING WITH ETHYL 4-CHLORACETOACETATE/O-CHLOROBENZALDEHYDE, CONDENSING (CYCLIZATION) WITH METHYL AMINOCROTONATE, PURIFYING, HYDROLYZING, SALT FORMING; COMMERCIALLY VIABLE; EFFICIENCY KOPRAN LIMITED (IN) 2004-08-31 US claimed
US-20040044218-A1 Reacting phthalic anhydride with ethanolamine KOPRAN LIMITED (IN) 2004-03-04 US claimed
US-6680334-B2 Crystalline material PFIZER INC 2004-01-20 US claimed
US-20030119883-A1 Crystalline material PFIZER INC. 2003-06-26 US claimed
EP-1287826-A1 A crystalline form of the free base of Amlodipine Pfizer Limited (GB) 2003-03-05 EP claimed
US-6784297-B2 CONDENSING PHTHALIC ANHYDRIDE AND ETHANOLAMINE, COUPLING WITH ETHYL 4-CHLORACETOACETATE/O-CHLOROBENZALDEHYDE, CONDENSING (CYCLIZATION) WITH METHYL AMINOCROTONATE, PURIFYING, HYDROLYZING, SALT FORMING; COMMERCIALLY VIABLE; EFFICIENCY KOPRAN LIMITED (IN) 2004-08-31 US disclosed
US-6784297-B2 CONDENSING PHTHALIC ANHYDRIDE AND ETHANOLAMINE, COUPLING WITH ETHYL 4-CHLORACETOACETATE/O-CHLOROBENZALDEHYDE, CONDENSING (CYCLIZATION) WITH METHYL AMINOCROTONATE, PURIFYING, HYDROLYZING, SALT FORMING; COMMERCIALLY VIABLE; EFFICIENCY KOPRAN LIMITED (IN) 2004-08-31 US disclosed
WO-2004033429-A1 CRYSTALLINE 2- `(2-AMINOETHOXY) METHYL!-4-(2-CHLOROPHENYL) -3-ETHOXYCARBONYL-5-METHOXYCARBONYL-6- METHYL-1, 4-DIHYDROPYRIDINE MALEATE SALT (AMPLODIPINE) DR. REDDY'S LABORATORIES LIMITED (IN) 2004-04-22 WO disclosed
US-20040044218-A1 Reacting phthalic anhydride with ethanolamine KOPRAN LIMITED (IN) 2004-03-04 US disclosed
US-20040044218-A1 Reacting phthalic anhydride with ethanolamine KOPRAN LIMITED (IN) 2004-03-04 US disclosed
US-6680334-B2 Crystalline material PFIZER INC 2004-01-20 US disclosed
US-6596874-B1 Salt formation by reaction using benzenesulfonic acid RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2003-07-22 US disclosed
US-20030119883-A1 Crystalline material PFIZER INC. 2003-06-26 US disclosed
EP-1287826-A1 A crystalline form of the free base of Amlodipine Pfizer Limited (GB) 2003-03-05 EP disclosed
US-4515799-A Dihydropyridine anti-ischaemic and antihypertensive agents PFIZER INC. (US) 1985-05-07 US disclosed
EP-0100189-A2 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1984-02-08 EP 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 (2 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-20040044218-A1 Reacting phthalic anhydride with ethanolamine H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA2, H1-4 TBXA2R 3932/4885ADRA1A 2821/4885SLC6A3 3655/4885
US-20030119883-A1 Crystalline material REN, CACNA1C, CACNA1B TBXA2R 1135/4885ADRA1A 837/4885SLC6A3 2303/4885

“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.