SCHEMBL3096196

SCHEMBL3096196

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
DPP4 P27487 4/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC29A1 Q99808 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
P2RX7 Q99572 4/20 0.33
CYP3A4 P08684 2/20 0.33
HTR5A P47898 1/20 0.33
PDE2A O00408 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
SCHEMBL3089834 0.94 CNR1 (0.43) CNR1DPP4SMN1; SMN2CYP3A4
SCHEMBL3078422 0.93 ALDH1A1 (0.38) DPP4SMN1; SMN2LMNATP53MAPT
SCHEMBL3092256 0.91 CNR1 (0.39) CNR1DPP4MAPT
SCHEMBL3090731 0.91 P2RX7 (0.39) DPP4SMN1; SMN2LMNATP53MAPT
SCHEMBL3089159 0.91 CNR1 (0.40) CNR1DPP4SLC29A1LMNATP53
SCHEMBL3096527 0.90 DPP4 (0.41) DPP4KDM4ESMN1; SMN2SLC29A1
SCHEMBL3092355 0.88 DPP4 (0.42) CNR1DPP4SMN1; SMN2LMNATP53
SCHEMBL3604333 0.87 KDM4C (0.44) DPP4SMN1; SMN2LMNAP2RX7
SCHEMBL3088769 0.86 CDK9 (0.39) CNR1DPP4MAPT
SCHEMBL3084453 0.86 CNR1 (0.45) CNR1DPP4CYP3A4

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 10 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
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 147/4885KDM4E 1761/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 CNR1 1107/4885DPP4 372/4885KDM4E 2205/4885

“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.