SCHEMBL17417699

SCHEMBL17417699

COc1ccc2[nH]cc(C(=O)O)c2c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PRKAB2 O43741 5/20 0.46
▸ PRKAG1 P54619 5/20 0.46
▸ PRKAA2 P54646 5/20 0.46
▸ PRKAA1 Q13131 5/20 0.46
▸ PRKAG3 Q9UGI9 5/20 0.46
▸ PRKAG2 Q9UGJ0 5/20 0.46
▸ PRKAB1 Q9Y478 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TUBB1 Q9H4B7 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 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
SCHEMBL17417724 0.84 PRKAB2 (0.46) MAPTTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL17417754 0.84 HSD17B10 (0.43) MAPTTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL17417733 0.83 PRKAG1 (0.51) MAPTTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL17417744 0.83 PRKAB2 (0.45) MAPTTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL1562275 0.81 TUBB1 (0.62) TUBB1
SCHEMBL7359725 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL9666180 0.73 HTR2A (0.50) MAPTCYP1A2MTNR1AMTNR1B
SCHEMBL29952879 0.73 ALDH1A1 (0.49) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL3830749 0.73 MAPT (0.46) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL28318098 0.73 IMPDH2 (0.40) KDM4EALDH1A1MTNR1AMTNR1B

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 MAPT 525/4885TDP1 1105/4885PRKAB2 666/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 MAPT 498/4885TDP1 1669/4885PRKAB2 961/4885

“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.

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