SCHEMBL2175776

SCHEMBL2175776

CCOC(=O)c1n[nH]c2c1COc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 4/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.45
ALPL P05186 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 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
SCHEMBL2171158 0.86 TP53 (0.43) NPC1RAB9AKDM4ETP53POLB
SCHEMBL3515824 0.84 MAPT (0.42) NPC1RAB9AKDM4ETP53POLB
SCHEMBL4729634 0.83 KDM4E (0.40) NPC1RAB9AKDM4ETP53POLB
SCHEMBL3515830 0.82 KDM4E (0.42) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL13050752 0.81 AR (0.44) NPC1RAB9AKDM4ETP53POLB
SCHEMBL2171482 0.81 KDM4E (0.59) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL30290797 0.80 KDM4E (0.51) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL2172150 0.80 KDM4E (0.37) NPC1RAB9AKDM4ETP53POLB
SCHEMBL2171236 0.80 L3MBTL1 (0.38) NPC1RAB9AKDM4ETP53POLB
SCHEMBL2548371 0.79 ALDH1A1 (0.48) NPC1RAB9AKDM4ETP53POLB

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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP disclosed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 NPC1 2788/4885RAB9A 3578/4885KDM4E 1812/4885
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease CHRNA7, CHRNA6, CHRNA5 NPC1 388/4885RAB9A 1873/4885KDM4E 2916/4885

“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.