SCHEMBL3087663

SCHEMBL3087663

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
DPP4 P27487 12/20 0.46
MAPT P10636 2/20 0.41
DPP8 Q6V1X1 2/20 0.40
HSD11B1 P28845 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 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
SCHEMBL3092256 0.91 CNR1 (0.39) CNR1DPP4MAPTHSD11B1ALDH1A1
SCHEMBL3084580 0.90 DPP4 (0.49) CNR1DPP4DPP8CYP3A4
SCHEMBL3604409 0.89 DPP4 (0.45) CNR1DPP4DPP8HSD11B1CYP3A4
SCHEMBL3084453 0.89 CNR1 (0.45) CNR1DPP4DPP8CYP3A4
SCHEMBL3089834 0.88 CNR1 (0.43) CNR1DPP4DPP8CYP3A4MAPK1
SCHEMBL3102779 0.87 DPP4 (0.47) CNR1DPP4DPP8HSD11B1CYP3A4
SCHEMBL3088975 0.87 DPP4 (0.40) CNR1DPP4DPP8
SCHEMBL3091146 0.86 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3092878 0.86 DPP4 (0.44) DPP4DPP8HSD11B1CYP3A4ALDH1A1
SCHEMBL3088192 0.86 DPP4 (0.46) DPP4DPP8CYP3A4MAPK1

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 CNR1 1272/4885DPP4 147/4885MAPT 111/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 CNR1 1107/4885DPP4 372/4885MAPT 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.