SCHEMBL13349262

SCHEMBL13349262

CCOC(=O)C(F)=C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1A O00555 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NOD2 Q9HC29 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPK1 P28482 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
MMP8 P22894 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL13798112 0.85 KMT2A (0.46) OPRD1CACNA2D1CACNB1CACNA1ATSHR
SCHEMBL13349263 0.84 CACNA2D1 (0.44) OPRD1CACNA2D1CACNB1CACNA1ATSHR
SCHEMBL29785609 0.79 OPRD1 (0.50) OPRD1CACNA2D1CACNB1CACNA1ATSHR
SCHEMBL1500509 0.77 OPRD1 (0.39) OPRD1CACNA2D1CACNB1CACNA1ATSHR
SCHEMBL13798016 0.76 KMT2A (0.44) OPRD1CACNA2D1CACNB1CACNA1AKMT2A
SCHEMBL71975 0.75 CTDSP1 (0.49) OPRD1CACNA2D1CACNB1CACNA1ATSHR
SCHEMBL29785546 0.71 KMT2A (0.49) OPRD1CACNA2D1CACNB1KMT2AMEN1
SCHEMBL3292513 0.70 CACNA1A (0.58) OPRD1CACNA2D1CACNB1CACNA1ATSHR
SCHEMBL13355595 0.70 KMT2A (0.44) OPRD1CACNA2D1CACNB1KMT2AMEN1
SCHEMBL3134253 0.70 CACNA2D1 (0.43) OPRD1CACNA2D1CACNB1CACNA1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 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 OPRD1 722/4885CACNA2D1 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.