SCHEMBL3099449

SCHEMBL3099449

CCOc1ccccc1Cn1cnc(-c2ccc(F)cc2F)c1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L2 Q92843 2/20 0.43
MAPK1 P28482 1/20 0.38
MAPT P10636 3/20 0.37
DPP4 P27487 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
MAPK14 Q16539 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TGFBR1 P36897 1/20 0.34
PDE5A O76074 1/20 0.34

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 0.90 BCL2L2 (0.42) BCL2L2MAPK1MAPTDPP4SLC6A2
SCHEMBL13316386 0.87 BCL2L2 (0.39) BCL2L2MAPTDPP4MAPK14TAAR1
SCHEMBL3087715 0.87 DPP4 (0.39) BCL2L2MAPTDPP4ALDH1A1TP53
SCHEMBL3083195 0.86 DPP4 (0.39) BCL2L2DPP4SLC6A2SLC6A4MAPK14
SCHEMBL3091396 0.84 KDM4C (0.43) DPP4MAPK14POLBTGFBR1
SCHEMBL3078359 0.83 BCL2L2 (0.43) BCL2L2MAPK1MAPTALDH1A1TP53
SCHEMBL3096527 0.83 DPP4 (0.41) DPP4MAPK14TGFBR1KDM4E
SCHEMBL3084277 0.82 DPP4 (0.43) BCL2L2MAPTDPP4HSP90AA1HSP90B1
SCHEMBL3096790 0.82 DPP4 (0.40) BCL2L2DPP4SLC6A4MAPK14TGFBR1
SCHEMBL3103140 0.81 DPP4 (0.40) BCL2L2DPP4L3MBTL1TGFBR1

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 11 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
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

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 BCL2L2 4168/4885MAPK1 1921/4885MAPT 111/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 BCL2L2 3933/4885MAPK1 1719/4885MAPT 305/4885

“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.