SCHEMBL1322130

SCHEMBL1322130

CC(N)=CC(=O)OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
NAAA Q02083 2/20 0.37
HTT P42858 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
OPRK1 P41145 2/20 0.33
CYP2C19 P33261 1/20 0.33
STS P08842 4/20 0.32
CYP19A1 P11511 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1322127 1.00 EPHX1 (0.39) EPHX1NAAAHTTCA12CA1
SCHEMBL7271811 0.98 EPHX1 (0.42) EPHX1NAAAHTTCA12CA1
SCHEMBL9433734 0.98 EPHX1 (0.42) EPHX1NAAAHTTCA12CA1
SCHEMBL1319123 0.96 EPHX1 (0.35) EPHX1NAAAHTTOPRK1CYP2C19
SCHEMBL1319121 0.96 EPHX1 (0.35) EPHX1NAAAHTTOPRK1CYP2C19
SCHEMBL11050292 0.92 ATM (0.31)
SCHEMBL11562387 0.83 EPHX1 (0.39) EPHX1NAAAHTTCA12CA1
SCHEMBL7427690 0.83 OPRK1 (0.38) OPRK1
SCHEMBL7427693 0.83 OPRK1 (0.38) OPRK1
SCHEMBL29882892 0.82 EPHX2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058447-B2 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-15 US disclosed
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US disclosed
US-4558058-A HYPOTENSIVE AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1985-12-10 US disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 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-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use RYR1, RYR2, CACNA1S EPHX1 668/4885NAAA 3269/4885HTT 1573/4885
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof RYR1, TNNI3, RYR2 EPHX1 695/4885NAAA 3913/4885HTT 1146/4885

“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.