SCHEMBL2089607

SCHEMBL2089607

Nc1cc(-c2ccc(OCC3CC3)c(Cl)c2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.54
GRM2 Q14416 8/20 0.41
MAPT P10636 1/20 0.39
BRD4 O60885 1/20 0.39
XDH P47989 1/20 0.38

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
SCHEMBL1858975 0.85 TLR9 (0.45) KMOBRD4XDH
SCHEMBL2090174 0.84 MAPT (0.47) MAPTBRD4XDH
SCHEMBL2090919 0.83 CHUK (0.38) KMOBRD4XDH
SCHEMBL1854515 0.80 XDH (0.45) MAPTXDH
SCHEMBL10238578 0.77 MAPT (0.46) KMOMAPT
SCHEMBL2090719 0.75 FEN1 (0.41) BRD4XDH
SCHEMBL14742084 0.74 KMO (0.62) KMOGRM2
SCHEMBL14910816 0.74 LMNA (0.45) KMOGRM2MAPT
SCHEMBL10259247 0.73 KMO (0.49) KMOGRM2
SCHEMBL30781076 0.73 KMO (0.47) KMOGRM2

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 9 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
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN 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
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN 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 KMO 1027/4885GRM2 73/4885MAPT 933/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 KMO 784/4885GRM2 60/4885MAPT 501/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 KMO 122/4885GRM2 76/4885MAPT 404/4885

“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.