SCHEMBL5402687

SCHEMBL5402687

[CH2]OCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
LTA4H P09960 1/20 0.46
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
HIF1A Q16665 1/20 0.44
HRH1 P35367 2/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ABCB1 P08183 1/20 0.37

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
SCHEMBL2089697 0.86 HRH1 (0.50) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL2093949 0.83 HRH1 (0.57) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL6007690 0.80 LOXL2 (0.54) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL8164850 0.76 LOXL2 (0.50) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL5402692 0.76 LOXL2 (0.50) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL151822 0.76 LOXL2 (0.68) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9872271 0.76 LOXL2 (0.45) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL58390 0.75 CA1 (0.48) LOXL2ALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL1145302 0.75
SCHEMBL273378 0.74 CHRNA7 (0.57) CYP1A2CYP2D6HRH1HRH3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US claimed
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed
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
US-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191022-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP disclosed
EP-1191021-A1 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 (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-20020193605-A1 New dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C LOXL2 4168/4885LTA4H 1927/4885CYP1A2 2418/4885
US-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C LOXL2 4191/4885LTA4H 1813/4885CYP1A2 2726/4885

“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.