SCHEMBL17417645

SCHEMBL17417645

Cc1cc(C#N)cc2[nH]cc(C(=O)O)c12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.40
▸ PRKAB2 O43741 5/20 0.39
▸ PRKAG1 P54619 5/20 0.39
▸ PRKAA2 P54646 5/20 0.39
▸ PRKAA1 Q13131 5/20 0.39
▸ PRKAG3 Q9UGI9 5/20 0.39
▸ PRKAG2 Q9UGJ0 5/20 0.39
▸ PRKAB1 Q9Y478 5/20 0.39
▸ KDM1A O60341 4/20 0.37
▸ NOTUM Q6P988 2/20 0.37
▸ CDK2 P24941 2/20 0.36
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ MYC P01106 1/20 0.35

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
SCHEMBL17205524 0.82 KDM4E (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17417806 0.81 PRKAB2 (0.44) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17417644 0.76 F7 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17417712 0.76 KDM4E (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17417740 0.74 TUBB1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31689684 0.73 PRKAB2 (0.51) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17429748 0.73 PRKAB2 (0.51) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17417594 0.72 KCNH2 (0.67) —
SCHEMBL6263161 0.72 NOTUM (0.41) XDHNOTUM
SCHEMBL17417735 0.71 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 10 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
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

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 XDH 932/4885PRKAB2 666/4885PRKAG1 502/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 XDH 880/4885PRKAB2 961/4885PRKAG1 729/4885

“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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