SCHEMBL3084277

SCHEMBL3084277

CCOc1ccccc1Cn1cnc(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.43
SLC2A1 P11166 1/20 0.43
BCL2L2 Q92843 1/20 0.42
DPP8 Q6V1X1 4/20 0.42
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
MAPT P10636 1/20 0.37
DRD4 P21917 1/20 0.37
PTGER1 P34995 1/20 0.37
CYP3A4 P08684 3/20 0.36
DPP9 Q86TI2 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHR1 P34998 1/20 0.36
YTHDC1 Q96MU7 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL3102196 0.91 BCL2L2 (0.42) DPP4SLC2A1BCL2L2HSP90AA1HSP90B1
SCHEMBL3089977 0.91 BCL2L2 (0.50) DPP4BCL2L2DPP8CYP3A4DPP9
SCHEMBL3092340 0.86 DPP4 (0.42) DPP4BCL2L2DPP8
SCHEMBL3084580 0.86 DPP4 (0.49) DPP4DPP8CYP3A4
SCHEMBL3091146 0.85 DPP4 (0.46) DPP4DPP8CYP3A4DPP9CYP2C19
SCHEMBL3087663 0.83 CNR1 (0.47) DPP4DPP8MAPTCYP3A4
SCHEMBL3099449 0.82 BCL2L2 (0.43) DPP4BCL2L2HSP90AA1HSP90B1MAPT
SCHEMBL3078359 0.82 BCL2L2 (0.43) BCL2L2HSP90AA1HSP90B1MAPTPDE5A
SCHEMBL3088192 0.82 DPP4 (0.46) DPP4DPP8CYP3A4CYP2C19CYP1A2
SCHEMBL3103130 0.81 DPP4 (0.45) 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 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 147/4885SLC2A1 2853/4885BCL2L2 4168/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885SLC2A1 3229/4885BCL2L2 3933/4885

“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.