SCHEMBL6924165

SCHEMBL6924165

O=C(COCCc1ccccn1)CC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNA3 P22001 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL6928931 0.84 ALDH1A1 (0.51) SMN1; SMN2LMNATDP1ALDH1A1L3MBTL1
SCHEMBL7526215 0.82 EPHX2 (0.40) RAB9ASMN1; SMN2NPC1LMNACA12
SCHEMBL5410599 0.81 LMNA (0.50) LMNATDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL20224970 0.79 L3MBTL1 (0.51) KCNA5KCNK3KCNA3RAB9ASMN1; SMN2
SCHEMBL11525397 0.78 ALDH1A1 (0.58) RAB9ASMN1; SMN2NPC1LMNATDP1
SCHEMBL4507548 0.78 ALDH1A1 (0.50) SMN1; SMN2LMNATDP1ALDH1A1L3MBTL1
SCHEMBL6029189 0.78 KCNA5 (0.55) KCNA5KCNK3KCNA3RAB9ASMN1; SMN2
SCHEMBL19951053 0.77 ABCB1 (0.50) LMNATDP1HPGDALOX15ALDH1A1
SCHEMBL20224957 0.77 SMN1; SMN2 (0.58) KCNA5KCNK3KCNA3RAB9ASMN1; SMN2
SCHEMBL5917187 0.76 ALDH1A1 (0.64) KCNA5KCNK3KCNA3RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed
US-20020193605-A1 New dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-12-19 US disclosed
EP-1191022-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 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-20020193605-A1 New dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C KCNA5 92/4885KCNK3 175/4885KCNA3 102/4885

“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.