SCHEMBL17429448

SCHEMBL17429448

CC(C)(C)OC(=O)n1ccc2c(C3CC3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
PIM1 P11309 1/20 0.41
MARK3 P27448 1/20 0.41
MAP4K2 Q12851 1/20 0.41
CAMK2B Q13554 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.41
AKT1 P31749 1/20 0.39
BUB1 O43683 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
NOTUM Q6P988 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 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
SCHEMBL14143337 0.92 KDM4E (0.48) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL587407 0.83 L3MBTL1 (0.53) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL424580 0.79 L3MBTL1 (0.48) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL3836430 0.79 L3MBTL1 (0.45) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL18487086 0.79 L3MBTL1 (0.45) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL29361808 0.79 ACLY (0.44) BUB1GPR119DDB1CRBNKDM4E
SCHEMBL3237691 0.78 L3MBTL1 (0.44) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL2878283 0.78 SCN9A (0.44) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL18788881 0.78 L3MBTL1 (0.44) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL2878376 0.78 NOTUM (0.63) BRD4CREBBPPIM1MARK3MAP4K2

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 7 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-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

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 BRD4 736/4885CREBBP 1762/4885PIM1 4885/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 BRD4 900/4885CREBBP 1565/4885PIM1 4885/4885

“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.