SCHEMBL3084580

SCHEMBL3084580

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.49
CNR1 P21554 1/20 0.45
DPP8 Q6V1X1 3/20 0.42
PHF8 Q9UPP1 1/20 0.41
P2RX7 Q99572 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA1D P25100 1/20 0.39
ACP1 P24666 1/20 0.39
KCNA3 P22001 1/20 0.38
TOP2A P11388 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
SCHEMBL3088192 0.91 DPP4 (0.46) DPP4DPP8P2RX7CYP3A4ACP1
SCHEMBL3103130 0.91 DPP4 (0.45) DPP4CNR1DPP8P2RX7CYP3A4
SCHEMBL3091146 0.90 DPP4 (0.46) DPP4DPP8P2RX7CYP3A4
SCHEMBL3087663 0.90 CNR1 (0.47) DPP4CNR1DPP8CYP3A4
SCHEMBL3604333 0.88 KDM4C (0.44) DPP4PHF8P2RX7ACP1
SCHEMBL3092513 0.88 DPP4 (0.47) DPP4CNR1DPP8CYP3A4
SCHEMBL3079559 0.88 DPP4 (0.51) DPP4CNR1DPP8CYP3A4
SCHEMBL3092878 0.87 DPP4 (0.44) DPP4DPP8P2RX7CYP3A4
SCHEMBL3089977 0.87 BCL2L2 (0.50) DPP4DPP8P2RX7CYP3A4
SCHEMBL3217490 0.86 DPP4 (0.47) DPP4DPP8CYP3A4ACP1

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 1272/4885DPP8 464/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885CNR1 1107/4885DPP8 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.