SCHEMBL8451964

SCHEMBL8451964

CCOOCC1=C(COCCN2C(=O)c3ccccc3C2=O)NC(COCCN2C(=O)c3ccccc3C2=O)=C(C(=O)OCC)C1c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.52
ADRA1A P35348 3/20 0.52
SLC6A3 Q01959 3/20 0.52
HTR1A P08908 2/20 0.52
ADRA2A P08913 2/20 0.52
CHRM1 P11229 2/20 0.52
DRD1 P21728 2/20 0.52
SLC6A2 P23975 2/20 0.52
OPRM1 P35372 2/20 0.52
DRD3 P35462 2/20 0.52
KCNH2 Q12809 2/20 0.52
CACNA1C Q13936 2/20 0.52
ABCB11 O95342 2/20 0.52
ABCB1 P08183 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
ADRB3 P13945 2/20 0.52
OPRK1 P41145 2/20 0.52
SCN5A Q14524 2/20 0.52
KCNK2 O95069 1/20 0.52
ADRB2 P07550 1/20 0.52

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
SCHEMBL3176152 0.91 TBXA2R (0.61) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL8294974 0.89 TBXA2R (0.57) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL4990358 0.87 TBXA2R (0.68) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL3185862 0.84 TBXA2R (0.75) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL4986252 0.84 TBXA2R (0.75) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL31473037 0.84 TBXA2R (0.75) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL6529546 0.83 HTR1A (0.56) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL14263736 0.82 TBXA2R (0.61) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL11451408 0.80 TBXA2R (0.50) TBXA2RADRA1ASLC6A3HTR1AADRA2A
SCHEMBL5809327 0.80 HTR1A (0.49) TBXA2RADRA1ASLC6A3HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132195-B1 ACETONE SOLVATE OF PHTHALOYL AMLODIPINE ESTEVE QUIMICA SA (ES) 2010-06-16 EP disclosed
US-7671208-B2 Acetone solvate of phthaloyl amlodipine ESTEVE QUIMICA, S.A. (ES) 2010-03-02 US disclosed
WO-2008119759-A1 ACETONE SOLVATE OF PHTHALOYL AMLODIPINE Esteve Química, S.A. (ES) 2008-10-09 WO disclosed
US-20080242867-A1 ACETONE SOLVATE OF PHTHALOYL AMLODIPINE ESTEVE QUIMICA, S.A. (ES) 2008-10-02 US disclosed
EP-1975167-A1 Acetone solvate of phthaloyl amlodipine ESTEVE QUIMICA, S.A. (ES) 2008-10-01 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 (1 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-20080242867-A1 ACETONE SOLVATE OF PHTHALOYL AMLODIPINE AGT, AASDHPPT, CACNA1C TBXA2R 4284/4885ADRA1A 1343/4885SLC6A3 3883/4885

“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.