SCHEMBL3089796

SCHEMBL3089796

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.44
CNR1 P21554 8/20 0.41
CNR2 P34972 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
MDM2 Q00987 2/20 0.40
MDM4 O15151 1/20 0.40
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37

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
SCHEMBL3091238 0.92 MDM2 (0.40) DPP4CNR1MDM2MDM4QPCT
SCHEMBL3096840 0.91 DPP4 (0.46) DPP4CNR1DPP8MDM2MDM4
SCHEMBL3091375 0.90 DPP4 (0.47) DPP4CNR1DPP8MDM2MDM4
SCHEMBL3102277 0.88 DPP4 (0.44) DPP4DPP8MDM2MDM4
SCHEMBL3084292 0.86 CNR1 (0.46) DPP4CNR1
SCHEMBL3091436 0.86 DPP4 (0.46) DPP4CNR1DPP8
SCHEMBL3595741 0.86 DPP4 (0.44) DPP4CNR1DPP8MDM2MDM4
SCHEMBL3100277 0.86 DPP4 (0.39) DPP4CNR1DPP8MDM2MDM4
SCHEMBL3079559 0.85 DPP4 (0.51) DPP4CNR1DPP8MDM2MDM4
SCHEMBL3600164 0.85 DPP4 (0.49) DPP4CNR1CNR2DPP8QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
EP-2007734-A1 ENZYME INHIBITORS Probiodrug AG (DE) 2008-12-31 EP disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 WO disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 WO 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA DPP4 147/4885CNR1 1272/4885CNR2 2238/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885CNR1 1107/4885CNR2 1824/4885

“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.