SCHEMBL3084749

SCHEMBL3084749

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.46
MARS1 P56192 2/20 0.45
DPP4 P27487 5/20 0.43
ADRA1D P25100 1/20 0.43
HRH1 P35367 1/20 0.42
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 3/20 0.40
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40
GABRA5 P31644 3/20 0.40
GABRA1 P14867 2/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3583003 0.89 DPP4 (0.42) P2RX7MARS1DPP4HRH1DPP8
SCHEMBL3096548 0.89 CDK9 (0.42) P2RX7ADRA1DALDH1A1
SCHEMBL3079559 0.88 DPP4 (0.51) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL3606001 0.87 DPP4 (0.44) MARS1DPP4HRH1DPP8DPP9
SCHEMBL3091375 0.86 DPP4 (0.47) DPP4DPP8CYP3A4KCNH2
SCHEMBL3592478 0.83 P2RX7 (0.44) P2RX7MARS1DPP4ADRA1DHRH1
SCHEMBL3084292 0.82 CNR1 (0.46) DPP4
SCHEMBL3595249 0.82 DPP4 (0.47) DPP4DPP8DPP9CYP3A4
SCHEMBL3091436 0.81 DPP4 (0.46) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL3595741 0.81 DPP4 (0.44) DPP4DPP8DPP9CYP3A4KCNH2

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 P2RX7 2321/4885MARS1 1672/4885DPP4 147/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 P2RX7 2025/4885MARS1 1786/4885DPP4 372/4885

“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.