SCHEMBL17417643

SCHEMBL17417643

O=C(O)c1c[nH]c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 1/20 0.52
CDK2 P24941 1/20 0.51
MDH2 P40926 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
TUBB1 Q9H4B7 1/20 0.48
KIF11 P52732 1/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
RUNX1 Q01196 1/20 0.46

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
SCHEMBL31375074 1.00 ALDH1A1 (0.52) ALDH1A1HPGDMEN1CYP1A2ALOX12
SCHEMBL2976313 0.92 ALDH1A1 (0.65) ALDH1A1HPGDMEN1CYP1A2ALOX12
SCHEMBL1558387 0.90 MAPT (0.46) ALDH1A1HPGDMEN1CYP1A2ALOX12
SCHEMBL31375050 0.88 NR4A2 (0.55) ALDH1A1HPGDMEN1CYP1A2ALOX12
SCHEMBL7939415 0.86 MAPT (0.48) ALDH1A1HPGDMEN1CYP1A2ALOX12
SCHEMBL27786661 0.85 MAPT (0.47) ALDH1A1CDK2MAPTTUBB1KIF11
SCHEMBL591684 0.83 ALDH1A1 (0.50) ALDH1A1HPGDMEN1CYP1A2ALOX12
SCHEMBL29366524 0.83 KDM4E (0.62) ALDH1A1HPGDMEN1CYP1A2ALOX12
SCHEMBL22589629 0.83 KDM4E (0.62) ALDH1A1HPGDMEN1CYP1A2ALOX12
SCHEMBL1558918 0.81 MAPT (0.46) ALDH1A1HPGDMEN1KMT2AMAPT

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 9 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
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-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 ALDH1A1 1525/4885HPGD 1919/4885MEN1 4460/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 ALDH1A1 1497/4885HPGD 1391/4885MEN1 4491/4885

“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.