SCHEMBL2090919

SCHEMBL2090919

Nc1cc(-c2cc(Cl)c(OCC3CC3)c(Cl)c2)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.38
FFAR4 Q5NUL3 2/20 0.37
KMO O15229 2/20 0.36
RHEB Q15382 3/20 0.35
SGK1 O00141 1/20 0.32
SYK P43405 1/20 0.32
CNR2 P34972 2/20 0.31
XDH P47989 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
BRD4 O60885 1/20 0.31
APP P05067 1/20 0.31
EP300 Q09472 1/20 0.30

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
SCHEMBL2089607 0.83 KMO (0.54) KMOXDHBRD4
SCHEMBL1854515 0.78 XDH (0.45) XDH
SCHEMBL1858975 0.73 TLR9 (0.45) FFAR4KMOXDHALOX5APFEN1
SCHEMBL2090174 0.72 MAPT (0.47) SYKXDHBRD4
SCHEMBL14910191 0.71 MAPT (0.33)
SCHEMBL2451133 0.71 LTA4H (0.39) CHUKFFAR4RHEB
SCHEMBL5076353 0.68 CHUK (0.41) CHUKFFAR4KMORHEBAPP
SCHEMBL2090719 0.68 FEN1 (0.41) XDHALOX5APFEN1BRD4
SCHEMBL2091970 0.68 PARP15 (0.39) BRD4APP
SCHEMBL3339364 0.67 IKBKE (0.38) KMO

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
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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 (3 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 CHUK 1712/4885FFAR4 572/4885KMO 1027/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CHUK 1193/4885FFAR4 480/4885KMO 784/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 CHUK 2357/4885FFAR4 613/4885KMO 122/4885

“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.