SCHEMBL17417627

SCHEMBL17417627

O=C(O)c1c[nH]c2ccc(F)c(Br)c12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GPR84 Q9NQS5 1/20 0.41
PRKAB2 O43741 13/20 0.41
PRKAG1 P54619 13/20 0.41
PRKAA2 P54646 13/20 0.41
PRKAA1 Q13131 13/20 0.41
PRKAG3 Q9UGI9 13/20 0.41
PRKAG2 Q9UGJ0 13/20 0.41
PRKAB1 Q9Y478 13/20 0.41
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16597465 0.83 GPR84 (0.51) F7F3CYP1A2KDM4EHSD17B10
SCHEMBL17417701 0.80 F7 (0.46) F7F3CYP1A2KDM4EHSD17B10
SCHEMBL17417762 0.80 F7 (0.54) F7F3CYP1A2KDM4EHSD17B10
SCHEMBL17417700 0.80 HSD17B10 (0.45) F7F3CYP1A2KDM4EHSD17B10
SCHEMBL1034434 0.78 NR4A2 (0.38) GPR84
SCHEMBL17417744 0.76 PRKAB2 (0.45) F7F3CYP1A2KDM4EHSD17B10
SCHEMBL2034897 0.76 GPR84 (0.51) F7F3CYP1A2KDM4EHSD17B10
SCHEMBL25331893 0.75 PRKAG1 (0.50) F7F3KDM4EPRKAB2PRKAG1
SCHEMBL16597426 0.73 CYP1A2 (0.39) F7F3CYP1A2KDM4EHSD17B10
SCHEMBL35210895 0.73 GPR17 (0.46) F7F3KDM4EPRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
EP-3166940-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY Alpharmagen, LLC (US) 2017-05-17 EP disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
WO-2016007630-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN, LLC (US) 2016-01-14 WO disclosed
WO-2016007630-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN, LLC (US) 2016-01-14 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-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 F7 1180/4885F3 4874/4885CYP1A2 1413/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 F7 1420/4885F3 4824/4885CYP1A2 1603/4885

“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.