SCHEMBL2090182

SCHEMBL2090182

N#CCC(=O)c1ccc(OCC2CC2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
PDE4B Q07343 8/20 0.44
ACACB O00763 1/20 0.43
XDH P47989 4/20 0.42
CNR2 P34972 1/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
DPP4 P27487 1/20 0.42
PREP P48147 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ABCB11 O95342 1/20 0.41
GRM2 Q14416 1/20 0.41
SCN9A Q15858 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
SCHEMBL1854139 0.85 PDE4B (0.43) PDE4BXDHPDE4APDE4CPDE4D
SCHEMBL2089372 0.84 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL2089989 0.83 CNR2 (0.40) KMOACACBXDHCNR2PDE4D
SCHEMBL1015121 0.81 KMO (0.58) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL1013024 0.81 KMO (0.52) KMOPDE4BACACBPDE4APDE4C
SCHEMBL3170758 0.81 KMO (0.50) KMOPDE4BACACBPDE4APDE4C
SCHEMBL1856227 0.78 PARP15 (0.60) ACACB
SCHEMBL1391337 0.77 KMO (0.49) KMOPDE4BACACBPDE4APDE4C
SCHEMBL663986 0.76 MAP4K4 (0.54) KMOXDHDPP4PREPFAP
SCHEMBL3743090 0.75 SLC6A4 (0.48) KMODPP4PREPFAPDPP8

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 1027/4885PDE4B 353/4885ACACB 1136/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 KMO 784/4885PDE4B 437/4885ACACB 1033/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 KMO 122/4885PDE4B 326/4885ACACB 1444/4885

“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.