SCHEMBL3217490

SCHEMBL3217490

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.47
DPP8 Q6V1X1 4/20 0.46
CYP3A4 P08684 1/20 0.41
ACP1 P24666 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DPP9 Q86TI2 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
SCHEMBL3099946 0.92 DPP4 (0.45) DPP4DPP8CYP3A4ACP1ALDH1A1
SCHEMBL3102779 0.89 DPP4 (0.47) DPP4DPP8CYP3A4
SCHEMBL3095151 0.88 ACP1 (0.41) DPP4ACP1ALDH1A1SMN1; SMN2POLB
SCHEMBL3103130 0.87 DPP4 (0.45) DPP4DPP8CYP3A4
SCHEMBL3084580 0.86 DPP4 (0.49) DPP4DPP8CYP3A4ACP1
SCHEMBL3079559 0.86 DPP4 (0.51) DPP4DPP8CYP3A4ALDH1A1HPGD
SCHEMBL3091375 0.86 DPP4 (0.47) DPP4DPP8CYP3A4SMN1; SMN2
SCHEMBL3088192 0.85 DPP4 (0.46) DPP4DPP8CYP3A4ACP1SMN1; SMN2
SCHEMBL3606001 0.82 DPP4 (0.44) DPP4DPP8CYP3A4DPP9
SCHEMBL3598278 0.82 TSHR (0.42) DPP4ACP1ALDH1A1POLBHPGD

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 DPP4 147/4885DPP8 464/4885CYP3A4 90/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885DPP8 618/4885CYP3A4 107/4885

“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.