SCHEMBL2089989

SCHEMBL2089989

N#CCC(=O)c1cc(Cl)c(OCC2CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
PLAU P00749 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PDE4D Q08499 1/20 0.36
XDH P47989 2/20 0.35
RHEB Q15382 2/20 0.35
PTGS1 P23219 1/20 0.34
APP P05067 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
KMO O15229 2/20 0.34
CHUK O15111 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL2090182 0.83 KMO (0.46) CNR2PDE4DXDHKMOACACB
SCHEMBL1856227 0.75 PARP15 (0.60) PARP15PARP10PARP2ACACB
SCHEMBL2088604 0.75 KDM4E (0.43) CNR2POLBTHRATHRBPLAU
SCHEMBL1854139 0.72 PDE4B (0.43) PARP15PARP10PARP2PDE4DXDH
SCHEMBL5076353 0.72 CHUK (0.41) THRATHRBPARP15PARP10PARP2
SCHEMBL2089372 0.71 PDE4B (0.56) PDE4D
SCHEMBL17735442 0.69 KAT6A (0.50) PARP15PARP10XDH
SCHEMBL4441468 0.69 APP (0.36) CNR2THRATHRBRHEBPTGS1
SCHEMBL27339788 0.68 HPGD (0.40) THRATHRBRHEBPTGS1CHUK
SCHEMBL4945211 0.68 TPMT (0.46) HTT

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 CNR2 84/4885POLB 4012/4885ALOX15 1616/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CNR2 87/4885POLB 3664/4885ALOX15 2815/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 CNR2 49/4885POLB 4019/4885ALOX15 1969/4885

“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.