SCHEMBL3079559

SCHEMBL3079559

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.51
CYP3A4 P08684 4/20 0.44
DPP8 Q6V1X1 4/20 0.44
CYP2C19 P33261 3/20 0.44
DPP9 Q86TI2 2/20 0.44
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CXCR2 P25025 1/20 0.43
CNR1 P21554 2/20 0.42
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 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
SCHEMBL3595249 0.93 DPP4 (0.47) DPP4CYP3A4DPP8CYP2C19DPP9
SCHEMBL3091375 0.92 DPP4 (0.47) DPP4CYP3A4DPP8KCNH2CXCR2
SCHEMBL3604955 0.89 DPP4 (0.48) DPP4CYP3A4DPP8CYP2C19DPP9
SCHEMBL3606001 0.89 DPP4 (0.44) DPP4CYP3A4DPP8DPP9
SCHEMBL3084292 0.88 CNR1 (0.46) DPP4CNR1
SCHEMBL3084749 0.88 P2RX7 (0.46) DPP4CYP3A4DPP8DPP9KCNH2
SCHEMBL3084580 0.88 DPP4 (0.49) DPP4CYP3A4DPP8CNR1
SCHEMBL3096019 0.88 DPP4 (0.45) DPP4
SCHEMBL3595741 0.88 DPP4 (0.44) DPP4CYP3A4DPP8CYP2C19DPP9
SCHEMBL3091436 0.88 DPP4 (0.46) DPP4CYP3A4DPP8CYP2C19DPP9

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 147/4885CYP3A4 90/4885DPP8 464/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885CYP3A4 107/4885DPP8 618/4885

“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.