SCHEMBL3088975

SCHEMBL3088975

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1cc(Br)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.40
DPP8 Q6V1X1 3/20 0.39
CNR1 P21554 3/20 0.35
CCR5 P51681 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33

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
SCHEMBL3259669 0.93 CNR1 (0.35) DPP4DPP8CNR1CCR5BRD4
SCHEMBL3591522 0.91 DPP4 (0.35) DPP4DPP8CNR1BRD4BRD2
SCHEMBL13316370 0.90 DPP4 (0.41) DPP4DPP8CCR5
SCHEMBL3084453 0.89 CNR1 (0.45) DPP4DPP8CNR1
SCHEMBL3087663 0.87 CNR1 (0.47) DPP4DPP8CNR1
SCHEMBL3595741 0.85 DPP4 (0.44) DPP4DPP8CNR1
SCHEMBL3087445 0.84 DPP4 (0.37) DPP4BRD4BRD2BRD3BRDT
SCHEMBL3089159 0.84 CNR1 (0.40) DPP4DPP8CNR1
SCHEMBL3088192 0.84 DPP4 (0.46) DPP4DPP8
SCHEMBL3089834 0.83 CNR1 (0.43) DPP4DPP8CNR1

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 6 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-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
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 464/4885CNR1 1272/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885DPP8 618/4885CNR1 1107/4885

“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.