SCHEMBL13798016

SCHEMBL13798016

CC(=O)OCC(F)=C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CACNA2D1 P54289 7/20 0.42
CACNB1 Q02641 7/20 0.42
CACNA1B Q00975 6/20 0.42
CACNA1C Q13936 5/20 0.42
MEN1 O00255 1/20 0.42
CACNA1H O95180 1/20 0.42
NPC1 O15118 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 3/20 0.41
USP2 O75604 1/20 0.41
CACNA1G O43497 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRD1 P41143 1/20 0.39
CACNA1A O00555 1/20 0.39
SLC6A9 P48067 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL13355595 0.84 KMT2A (0.44) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3134253 0.76 CACNA2D1 (0.43) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL13349262 0.76 OPRD1 (0.44) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL13798018 0.75 CACNA2D1 (0.42) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL13798112 0.74 KMT2A (0.46) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL29785546 0.71 KMT2A (0.49) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3129358 0.70 DRD2 (0.49) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL29785637 0.70 DRD2 (0.49) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL13349263 0.70 CACNA2D1 (0.44) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3137205 0.70 KMT2A (0.46) KMT2ACACNA2D1CACNB1CACNA1BCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 KMT2A 1652/4885CACNA2D1 1701/4885CACNB1 4221/4885

“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.