SCHEMBL2566752

SCHEMBL2566752

CC(C)CCN1CCc2ccc(OCCC3CCCN3C)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.49
HRH1 P35367 1/20 0.43
ACACB O00763 1/20 0.42
SLC2A1 P11166 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 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
SCHEMBL2563832 0.91 HRH3 (0.50) HRH3HRH1ACACBSLC2A1
SCHEMBL2564050 0.88 HRH3 (0.55) HRH3HRH1
SCHEMBL2565799 0.86 HRH3 (0.58) HRH3HRH1
SCHEMBL5223664 0.86 HRH3 (0.55) HRH3HRH1
SCHEMBL2564836 0.86 HRH3 (0.55) HRH3HRH1
SCHEMBL2563611 0.83 HRH3 (0.70) HRH3HRH1
SCHEMBL2563410 0.83 HRH3 (0.70) HRH3HRH1
SCHEMBL2560963 0.83 HRH3 (0.70) HRH3HRH1
Hydrochloric Acid SCHEMBL3552392 0.82 HRH3 (0.69) HRH3HRH1
SCHEMBL2563972 0.82 HRH3 (0.55) HRH3HRH1ACACBOPRM1OPRD1

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 12 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-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 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 HRH3 1/4885HRH1 2/4885ACACB 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.