SCHEMBL2089690

SCHEMBL2089690

CCOC(=O)CCCN1CCC[C@@H]1C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.62
CYP2D6 P10635 1/20 0.47
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
CYP1A2 P05177 1/20 0.42
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1855876 1.00 HRH3 (0.62) HRH3CYP2D6SCN1ASCN2ASCN3A
SCHEMBL2090636 1.00 HRH3 (0.62) HRH3CYP2D6SCN1ASCN2ASCN3A
SCHEMBL2088330 0.95 HRH3 (0.57) HRH3CYP2D6SCN1ASCN2ASCN3A
SCHEMBL489181 0.91 HRH3 (0.64) HRH3CYP2D6SCN1ASCN2ASCN3A
SCHEMBL489180 0.91 HRH3 (0.64) HRH3CYP2D6SCN1ASCN2ASCN3A
SCHEMBL24757439 0.86 HRH3 (0.50) HRH3CYP2D6SCN1ASCN2ASCN3A
SCHEMBL19718782 0.86 HRH3 (0.60) HRH3CYP2D6SCN1ASCN2ASCN3A
SCHEMBL14020723 0.84 HRH3 (0.60) HRH3CYP2D6SCN1ASCN2ASCN3A
SCHEMBL19349864 0.84 KDM4E (0.47) HRH3CYP1A2RAB9AL3MBTL1KDM4E
SCHEMBL1855325 0.81 HRH3 (0.45) HRH3CYP1A2RAB9AL3MBTL1KDM4E

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
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 HRH3 493/4885CYP2D6 2346/4885SCN1A 332/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 HRH3 384/4885CYP2D6 3401/4885SCN1A 350/4885

“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.