SCHEMBL1861841

SCHEMBL1861841

COC(=O)c1ccc(OCC2CC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.50
PDE4D Q08499 8/20 0.50
PDE4A P27815 7/20 0.50
PDE4C Q08493 7/20 0.50
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GRM2 Q14416 1/20 0.43
SLC6A9 P48067 1/20 0.42
ACACB O00763 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL30152321 0.90 SCN9A (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL24969558 0.90 SCN9A (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL20189249 0.89 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL28033753 0.87 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL20463367 0.86 SLC6A9 (0.53) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL2090601 0.84 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL4278555 0.84 PDE4B (0.63) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL15968784 0.84 LMNA (0.55) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL1871388 0.83 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL3416298 0.83 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CMAPT

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 8 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
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP 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
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP 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 (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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 PDE4B 353/4885PDE4D 472/4885PDE4A 287/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 PDE4B 437/4885PDE4D 620/4885PDE4A 388/4885

“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.