SCHEMBL13355644

SCHEMBL13355644

NCC(Cl)=C1CC2CCC(C1)N2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.54
CHRM2 P08172 2/20 0.54
DRD1 P21728 1/20 0.54
KDM4E B2RXH2 4/20 0.51
LMNA P02545 4/20 0.51
HSD17B10 Q99714 3/20 0.51
ABCC4 O15439 1/20 0.51
DHFR P00374 1/20 0.46
TOP2A P11388 3/20 0.43
TOP2B Q02880 3/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL3813875 0.96 DPP4 (0.51) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL3124372 0.88 DPP4 (0.61) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL3810076 0.86 DPP4 (0.58) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9838624 0.86 DPP4 (0.62) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9838732 0.86 DPP4 (0.62) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9837344 0.86 DPP4 (0.62) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL3132116 0.84 DPP4 (0.56) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL3132121 0.84 DPP4 (0.56) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL3806171 0.84 DPP4 (0.56) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL3124361 0.84 DPP4 (0.55) DPP4CHRM2DRD1KDM4ELMNA

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 3 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 disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US 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.