SCHEMBL3092256

SCHEMBL3092256

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
KDM4C Q9H3R0 2/20 0.37
DPP4 P27487 4/20 0.37
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
HSD11B1 P28845 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GRM2 Q14416 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
SCHEMBL3604333 0.92 KDM4C (0.44) KDM4CDPP4HSD11B1ALDH1A1
SCHEMBL3087663 0.91 CNR1 (0.47) CNR1DPP4MAPTHSD11B1ALDH1A1
SCHEMBL3096196 0.91 CNR1 (0.36) CNR1DPP4MAPT
SCHEMBL3089159 0.91 CNR1 (0.40) CNR1DPP4MAPT
SCHEMBL3087715 0.90 DPP4 (0.39) DPP4MAPTADORA2AADORA1PDE5A
SCHEMBL3092637 0.89 P2RX7 (0.41) KDM4CDPP4HSD11B1ALDH1A1
SCHEMBL3078422 0.88 ALDH1A1 (0.38) KDM4CDPP4MAPTALDH1A1GRM2
SCHEMBL3089615 0.88 P2RX7 (0.42) KDM4CDPP4HSD11B1
SCHEMBL3096019 0.87 DPP4 (0.45) DPP4HSD11B1GRM2
SCHEMBL3598866 0.87 HSD11B1 (0.43) KDM4CADORA2AHSD11B1ALDH1A1HPGD

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 1272/4885KDM4C 1750/4885DPP4 147/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 CNR1 1107/4885KDM4C 2011/4885DPP4 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.