SCHEMBL4928259

SCHEMBL4928259

NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
DPP4 P27487 1/20 0.53
DPP8 Q6V1X1 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
VNN1 O95497 1/20 0.51
HTR3A P46098 1/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
PDK2 Q15119 1/20 0.49
LMNA P02545 1/20 0.48
CAPN1 P07384 1/20 0.48
PDE2A O00408 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
PLK1 P53350 1/20 0.45

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
SCHEMBL4928248 1.00 CNR1 (0.53) CNR1CNR2DPP4DPP8NPC1
SCHEMBL2474659 0.89 CNR1 (0.57) CNR1CNR2DPP4DPP8HTR3A
SCHEMBL2479221 0.89 CNR1 (0.57) CNR1CNR2DPP4DPP8HTR3A
SCHEMBL5737098 0.81 NPC1 (0.53) NPC1RAB9AHTR3A
SCHEMBL30874833 0.81 ITGB2 (0.48) VNN1SPHK2SPHK1
SCHEMBL6986208 0.75 HPGD (0.71) DPP4DPP8LMNAPDE2AHPGD
SCHEMBL11251214 0.74 SPHK2 (0.62) DPP4NPC1RAB9AVNN1SPHK2
SCHEMBL11251209 0.74 SPHK2 (0.62) DPP4NPC1RAB9AVNN1SPHK2
SCHEMBL2479401 0.74 CNR1 (0.57) CNR1CNR2DPP4
SCHEMBL24026149 0.74 GAA (0.55) CNR1CNR2PDK2PDE2AHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US claimed
JP-2008508348-A 2008-03-21 JP claimed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP claimed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 WO claimed
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 CNR1 3336/4885CNR2 4335/4885DPP4 637/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 CNR1 3372/4885CNR2 4342/4885DPP4 658/4885

“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.