SCHEMBL3595387

SCHEMBL3595387

CC(C)(C)Cn1cnc(-c2ccc(F)cc2Cl)c1CN

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.40
HSD11B1 P28845 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
NSD2 O96028 1/20 0.35
MAPK14 Q16539 2/20 0.34
CDK9 P50750 1/20 0.33
CYP3A4 P08684 1/20 0.33
DPP9 Q86TI2 1/20 0.33
P2RX7 Q99572 1/20 0.32
TGFBR1 P36897 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL3096567 0.89 DPP4 (0.46) DPP4HSD11B1DPP8CYP3A4
SCHEMBL3092284 0.87 DPP4 (0.43) DPP4NSD2MAPK14TGFBR1
SCHEMBL3096578 0.85 DPP4 (0.42) DPP4HSD11B1DPP8NSD2CYP3A4
SCHEMBL3088769 0.84 CDK9 (0.39) DPP4NSD2CDK9CNR1
SCHEMBL3078422 0.82 ALDH1A1 (0.38) DPP4CYP3A4P2RX7CNR2
SCHEMBL3594489 0.82 MEN1 (0.38) DPP4HSD11B1NSD2CDK9
SCHEMBL3096019 0.81 DPP4 (0.45) DPP4HSD11B1CDK9
SCHEMBL3100277 0.81 DPP4 (0.39) DPP4DPP8NSD2CDK9CNR1
SCHEMBL3096196 0.81 CNR1 (0.36) DPP4CYP3A4P2RX7CNR1HTR5A
SCHEMBL3089159 0.81 CNR1 (0.40) DPP4DPP8P2RX7CNR1HTR5A

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 9 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-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 147/4885HSD11B1 218/4885DPP8 464/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885HSD11B1 258/4885DPP8 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.