SCHEMBL2561454

SCHEMBL2561454

CCCN1CCc2ccc(OC3CCCN(C)CC3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
CYP2D6 P10635 1/20 0.45
ACACB O00763 2/20 0.44
PRMT5 O14744 6/20 0.44
WDR77 Q9BQA1 6/20 0.44
PARP1 P09874 2/20 0.42
ESR1 P03372 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 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
SCHEMBL2560796 0.93 DRD2 (0.50) HRH3CYP2D6ACACBPRMT5WDR77
SCHEMBL2566679 0.88 ACACB (0.46) HRH3CYP2D6ACACBPRMT5WDR77
SCHEMBL2561968 0.85 HRH3 (0.61) HRH3CYP2D6ACACBPRMT5WDR77
SCHEMBL2564105 0.84 ACACB (0.52) HRH3ACACBPRMT5WDR77DRD3
SCHEMBL2563822 0.81 KDM4E (0.53) HRH3CYP2D6ACACBPRMT5WDR77
Oxalic Acid SCHEMBL3550835 0.81 HRH3 (0.56) HRH3CYP2D6ACACBPRMT5WDR77
SCHEMBL2564050 0.75 HRH3 (0.55) HRH3ESR1
SCHEMBL5223664 0.73 HRH3 (0.55) HRH3
SCHEMBL2564836 0.73 HRH3 (0.55) HRH3
SCHEMBL13849617 0.72 HRH3 (0.54) HRH3

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 4 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
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

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 HRH3 1/4885CYP2D6 1154/4885ACACB 4456/4885

“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.