SCHEMBL4255830

SCHEMBL4255830

CN1CCC(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.56
ADRA2A P08913 2/20 0.56
CYP2D6 P10635 2/20 0.56
CHRM1 P11229 2/20 0.56
DRD1 P21728 2/20 0.56
OPRM1 P35372 2/20 0.56
DRD3 P35462 2/20 0.56
SLC6A3 Q01959 2/20 0.56
KCNH2 Q12809 2/20 0.56
HTR1A P08908 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
MAPK1 P28482 1/20 0.54
MC4R P32245 1/20 0.53
CHRM3 P20309 3/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADRA1D P25100 1/20 0.50

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
SCHEMBL12658796 0.82 CYP2D6 (0.48) CYP2D6KCNH2HRH3MC4R
SCHEMBL14198387 0.82 DRD2 (0.60) CYP2D6HTR2AHTR2C
SCHEMBL2554948 0.81 OPRM1 (0.53) CHRM2ADRA2ACYP2D6CHRM1DRD1
SCHEMBL3393165 0.81 CHRM2 (0.53) CHRM2ADRA2ACYP2D6CHRM1DRD1
SCHEMBL3392214 0.81 CARM1 (0.63) CHRM2ADRA2ACYP2D6CHRM1DRD1
SCHEMBL14198386 0.81 BACE1 (0.50) CYP2D6HTR2AHTR2C
SCHEMBL677532 0.80 IDO1 (0.52) CYP2D6
SCHEMBL8674414 0.80 IDO1 (0.52) CYP2D6
SCHEMBL13890145 0.80 BACE1 (0.46) CYP2D6
SCHEMBL14431944 0.79 CYP2D6 (0.47) CHRM2ADRA2ACYP2D6CHRM1DRD1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742707-A4 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2009-08-05 EP disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
EP-1443929-A4 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2008-02-06 EP disclosed
US-7317030-B2 Compounds as inhibitors of cell proliferation and viral infections 4SC AG (DE) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
EP-1742707-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS Hypnion, Inc. (US) 2007-01-17 EP disclosed
WO-2005103041-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-12-22 WO disclosed
WO-2005103041-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2005-11-03 WO disclosed
WO-2005082868-A1 COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND VIRAL INFECTIONS 4SC AG (DE) 2005-09-09 WO disclosed
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2005-04-14 US disclosed
US-20050009730-A1 Treatment of cns disorders using cns target modulators HYPNION, INC. 2005-01-13 US disclosed
WO-2003032912-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-01-06 WO disclosed
EP-1443929-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS Hypnion, Inc. (US) 2004-08-11 EP disclosed
US-20040142972-A1 CNS target modulators HYPNION, INC. 2004-07-22 US disclosed
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2003-10-02 US disclosed
WO-2003032912-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2003-04-24 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 (4 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-20050009730-A1 Treatment of cns disorders using cns target modulators HCRTR2, CNR2, CNR1 CHRM2 68/4885ADRA2A 634/4885CYP2D6 1239/4885
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, CNR2, CNR1 CHRM2 68/4885ADRA2A 634/4885CYP2D6 1239/4885
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, HRH3, HCRTR1 CHRM2 113/4885ADRA2A 693/4885CYP2D6 1176/4885
US-20040142972-A1 CNS target modulators HCRTR2, CNR2, CNR1 CHRM2 50/4885ADRA2A 424/4885CYP2D6 816/4885

“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.