SCHEMBL3596963

SCHEMBL3596963

CCn1cnc(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.58
DPP8 Q6V1X1 4/20 0.58
NSD2 O96028 1/20 0.40
CYP3A4 P08684 2/20 0.39
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL3091767 0.89 DPP4 (0.50) DPP4DPP8NSD2
SCHEMBL3091375 0.88 DPP4 (0.47) DPP4DPP8NSD2CYP3A4
SCHEMBL4660649 0.86 DPP4 (0.48) DPP4DPP8CYP3A4
SCHEMBL3604507 0.86 DPP4 (0.47) DPP4DPP8
SCHEMBL3096567 0.85 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3599200 0.85 DPP4 (0.46) DPP4DPP8
SCHEMBL3600802 0.84 DPP4 (0.44) DPP4DPP8NSD2
SCHEMBL3600854 0.84 DPP4 (0.46) DPP4DPP8NSD2
SCHEMBL3088192 0.84 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3600930 0.84 DPP4 (0.46) DPP4DPP8CYP3A4

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 8 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-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-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

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 147/4885DPP8 464/4885NSD2 2957/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885DPP8 618/4885NSD2 2919/4885

“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.