SCHEMBL17429443

SCHEMBL17429443

COc1cc2c(C(=O)O)cn(C(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
HTR6 P50406 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MYC P01106 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NSD2 O96028 1/20 0.36
PDE4B Q07343 2/20 0.35
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
TSHR P16473 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL17429445 0.91 L3MBTL1 (0.37) LCKFYNHTR6L3MBTL1KDM4E
SCHEMBL17429740 0.89 PDE3B (0.38) L3MBTL1NSD2PDE4BPDE4APDE4C
SCHEMBL17417658 0.87 SRD5A1 (0.50) HPGDCTSL
SCHEMBL29122828 0.83 L3MBTL1 (0.41) HTR6L3MBTL1KDM4ENSD2PDE4B
SCHEMBL3109280 0.82 MTNR1A (0.41) LCKFYNHTR6L3MBTL1ALDH1A1
SCHEMBL31370601 0.82 MTNR1A (0.41) LCKFYNHTR6L3MBTL1ALDH1A1
SCHEMBL31555881 0.82 KDM4E (0.48) HTR6L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL1748650 0.81 L3MBTL1 (0.39) HTR6L3MBTL1NSD2PDE4BPDE4A
SCHEMBL1846302 0.78 HTR6 (0.46) HTR6L3MBTL1MYC
SCHEMBL29754156 0.78 HTR6 (0.46) HTR6L3MBTL1MYC

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 LCK 2836/4885FYN 1949/4885HTR6 182/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 LCK 2735/4885FYN 1651/4885HTR6 154/4885

“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.