SCHEMBL4916902

SCHEMBL4916902

NC(=O)[C@@H]1CCCN1C(=O)c1nccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.52
VNN1 O95497 1/20 0.45
PDE2A O00408 1/20 0.45
ENPP2 Q13822 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
CNR2 P34972 3/20 0.43
ELANE P08246 2/20 0.43
SCN9A Q15858 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDK2 Q15119 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL4916897 1.00 HCRTR1 (0.52) HCRTR1VNN1PDE2AENPP2SPHK2
SCHEMBL4919265 0.86 HCRTR1 (0.52) HCRTR1PDE2ACCR3
SCHEMBL4919272 0.86 HCRTR1 (0.52) HCRTR1PDE2ACCR3
SCHEMBL3570468 0.85 HCRTR1 (0.49) HCRTR1PDE2ACCR3
SCHEMBL3570473 0.85 HCRTR1 (0.49) HCRTR1PDE2ACCR3
SCHEMBL15064844 0.82 HCRTR1 (0.58) HCRTR1PDE2ACNR2CCR3
SCHEMBL15064842 0.82 HCRTR1 (0.53) HCRTR1PDE2ACNR2RAB9ACCR3
SCHEMBL3575371 0.81 HCRTR1 (0.51) HCRTR1PDE2ACNR2NPC1RAB9A
SCHEMBL3575368 0.81 HCRTR1 (0.51) HCRTR1PDE2ACNR2NPC1RAB9A
SCHEMBL13570575 0.81 NPC1 (0.43) HCRTR1VNN1ENPP2SPHK2SPHK1

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 HCRTR1 975/4885VNN1 502/4885PDE2A 3732/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 HCRTR1 967/4885VNN1 702/4885PDE2A 3633/4885

“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.