SCHEMBL3124361

SCHEMBL3124361

NCC(Cl)=C1CCCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.55
CHRM2 P08172 2/20 0.54
DRD1 P21728 1/20 0.54
LMNA P02545 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ABCC4 O15439 1/20 0.51
DHFR P00374 1/20 0.50
CYP2C9 P11712 2/20 0.46
ATP6V1B2 P21281 1/20 0.46
TBXA2R P21731 1/20 0.46
EDNRA P25101 1/20 0.46
TARBP2 Q15633 1/20 0.46
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL3124339 1.00 DPP4 (0.55) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3137170 1.00 DPP4 (0.55) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3810076 0.97 DPP4 (0.58) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3132121 0.93 DPP4 (0.56) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3806171 0.93 DPP4 (0.56) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3132116 0.93 DPP4 (0.56) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3132038 0.91 DPP4 (0.55) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3127264 0.91 DPP4 (0.55) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3127277 0.91 DPP4 (0.55) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3124372 0.88 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E

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
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO claimed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US claimed
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

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 DPP4 1254/4885CHRM2 67/4885DRD1 906/4885

“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.