SCHEMBL3089834

SCHEMBL3089834

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.43
DPP4 P27487 12/20 0.41
DPP8 Q6V1X1 4/20 0.39
CYP3A4 P08684 2/20 0.38
DPP9 Q86TI2 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACP1 P24666 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 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
SCHEMBL3096196 0.94 CNR1 (0.36) CNR1DPP4CYP3A4SMN1; SMN2
SCHEMBL3092355 0.92 DPP4 (0.42) CNR1DPP4DPP8CYP3A4DPP9
SCHEMBL3084453 0.92 CNR1 (0.45) CNR1DPP4DPP8CYP3A4DPP9
SCHEMBL3087663 0.88 CNR1 (0.47) CNR1DPP4DPP8CYP3A4MAPK1
SCHEMBL3089159 0.87 CNR1 (0.40) CNR1DPP4DPP8
SCHEMBL3078422 0.87 ALDH1A1 (0.38) DPP4CYP3A4CYP1A2CYP2C9TSHR
SCHEMBL3088192 0.87 DPP4 (0.46) DPP4DPP8CYP3A4CYP1A2CYP2D6
SCHEMBL3096527 0.87 DPP4 (0.41) DPP4CYP2C19SMN1; SMN2
SCHEMBL3096840 0.86 DPP4 (0.46) CNR1DPP4DPP8CYP3A4DPP9
SCHEMBL3092256 0.85 CNR1 (0.39) CNR1DPP4

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 147/4885DPP8 464/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 CNR1 1107/4885DPP4 372/4885DPP8 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.