SCHEMBL2566679

SCHEMBL2566679

CC(C)CCN1CCc2ccc(OC3CCCN(C)CC3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
PRMT5 O14744 11/20 0.46
WDR77 Q9BQA1 11/20 0.46
HRH3 Q9Y5N1 4/20 0.45
CYP2D6 P10635 1/20 0.43
PARP1 P09874 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
SCHEMBL2561454 0.88 HRH3 (0.46) ACACBPRMT5WDR77HRH3CYP2D6
SCHEMBL2560796 0.86 DRD2 (0.50) ACACBPRMT5WDR77HRH3CYP2D6
SCHEMBL2561968 0.83 HRH3 (0.61) ACACBPRMT5WDR77HRH3CYP2D6
SCHEMBL2564105 0.82 ACACB (0.52) ACACBPRMT5WDR77HRH3
Oxalic Acid SCHEMBL3550835 0.79 HRH3 (0.56) ACACBPRMT5WDR77HRH3CYP2D6
SCHEMBL2563822 0.79 KDM4E (0.53) ACACBPRMT5WDR77HRH3CYP2D6
SCHEMBL2566752 0.77 HRH3 (0.49) ACACBHRH3
SCHEMBL2560955 0.74 HRH3 (0.41) PRMT5WDR77HRH3CYP2D6PARP1
SCHEMBL28823793 0.70 PRMT5 (0.77) PRMT5WDR77
SCHEMBL28823792 0.70 PRMT5 (0.77) PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960387-B1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR SANOFI SA (FR) 2011-11-02 EP claimed
US-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR SANOFI-AVENTIS (FR) 2008-10-30 US claimed
EP-1960387-A1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR sanofi-aventis (FR) 2008-08-27 EP claimed
WO-2007060027-A1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR SANOFI AVENTIS (FR) 2007-05-31 WO claimed
EP-1790646-A1 Isoquinoline und benzo[h]isoquinoline derivatives, their preparation and their therapeutical application as antagonists of histamine H3 receptor . Sanofi-Aventis (FR) 2007-05-30 EP claimed
EP-1960387-B1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR SANOFI SA (FR) 2011-11-02 EP disclosed
US-7678807-B2 Isoquinoline and benzo[H] isoquinoline derivatives, preparation and therapeutic use thereof as antagonists of the histamine H3 receptor SANOFI-AVENTIS (FR) 2010-03-16 US disclosed
US-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
EP-1960387-A1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR sanofi-aventis (FR) 2008-08-27 EP disclosed
WO-2007060027-A1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR SANOFI AVENTIS (FR) 2007-05-31 WO disclosed
EP-1790646-A1 Isoquinoline und benzo[h]isoquinoline derivatives, their preparation and their therapeutical application as antagonists of histamine H3 receptor . Sanofi-Aventis (FR) 2007-05-30 EP 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 (1 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-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH1, HRH2 ACACB 4456/4885PRMT5 459/4885WDR77 589/4885

“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.