SCHEMBL4881550

SCHEMBL4881550

CCCN1C(C)=C(C(=O)O)C(c2cccc(Cl)c2Cl)C(C(=O)O)=C1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 13/20 0.48
PYGM P11217 13/20 0.48
CYP2C9 P11712 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ABCB11 O95342 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL7210505 0.86 PYGL (0.44) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL7945527 0.85 LMNA (0.47) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL9121989 0.84 CYP2C9 (0.49) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL9032248 0.83 CYP2C9 (0.51) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL4790038 0.82 CYP2C9 (0.58) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL4881545 0.80 LMNA (0.61) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL8511172 0.78 CYP2C9 (0.45) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL9032779 0.78 CYP2C9 (0.57) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL9804865 0.78 CYP2C9 (0.57) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL8672503 0.78 PYGL (0.48) PYGLPYGMCYP2C9KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080095841-A1 Pharmaceutical Composition, Method for Producing the Same, and Method for Stabilizing Dihydropyridine Compound in the Pharmaceutical Composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-04-24 US disclosed
EP-1813274-A1 MEDICINAL COMPOSITION, PROCESS FOR PRODUCING THE SAME, AND METHOD OF STABILIZING DIHYDROPYRIDINE COMPOUND IN MEDICINAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2007-08-01 EP disclosed
EP-0804229-B1 USE OF AMLODIPINE, A SALT THEREOF OR FELODIPIN IN COMBINATION WITH AN ACE INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF NONISCHEMIC CONGESTIVE HEART FAILURE PFIZER (US) 2003-03-26 EP disclosed
US-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents HOGENKAMP HENRICUS P C (US) 2002-04-25 US disclosed
US-5519012-A CALCIUM ANTAGONISTS, CARDIOVASCULAR DISORDERS LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, D.D., LJUBLJANA (SI) 1996-05-21 US disclosed
EP-0566142-A1 Inclusion complexes of optically active and racemic 1,4-dihydro pyridines with cyclodextrin derivates LEK, tovarna farmacevtskih in kemicnih izdelkov, d.d. (SI) 1993-10-20 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-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents APOB, MMAB, CBS PYGL 978/4885PYGM 720/4885CYP2C9 578/4885

“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.