SCHEMBL1706326

SCHEMBL1706326

CC[CH]c1cc2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.60
APP P05067 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
AGXT P21549 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
FLT3 P36888 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIM1 P11309 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TYR P14679 1/20 0.40

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
SCHEMBL9812045 0.82 CYP2A6 (0.58) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL1706926 0.79 CYP2A6 (0.64) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL15095310 0.76 CYP2A6 (0.60) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL25508775 0.76 CYP2A6 (0.60) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL17185672 0.75 CYP2A6 (0.64) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL9956377 0.75 CYP2A6 (1.00) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL225144 0.75 CYP2A6 (0.64) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL11396362 0.75 CYP2A6 (0.64) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL91009 0.75 CYP2A6 (1.00) CYP2A6APPLOXL2NPC1MAPT
SCHEMBL2900756 0.75 CYP2A6 (0.64) CYP2A6APPLOXL2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
EP-2091948-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-04 US disclosed
WO-2008065141-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-06-05 WO disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 US disclosed
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 WO disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 EP 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 (3 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 CYP2A6 1920/4885APP 4882/4885LOXL2 1938/4885
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL CYP2A6 3719/4885APP 3363/4885LOXL2 3398/4885
US-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 CYP2A6 2393/4885APP 4733/4885LOXL2 3261/4885

“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.