SCHEMBL2567353

SCHEMBL2567353

COc1ccc2c(c1)CN(CC1CCCCC1)CC2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.67
HRH1 P35367 2/20 0.52
THRB P10828 1/20 0.49
OPRM1 P35372 3/20 0.49
OPRL1 P41146 2/20 0.49
OPRK1 P41145 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
ABCB1 P08183 2/20 0.47
KDM4E B2RXH2 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46

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
SCHEMBL12950793 0.91 HRH3 (0.62) HRH3HRH1THRBSIGMAR1HTR1A
SCHEMBL11455692 0.91 HRH3 (0.64) HRH3HRH1OPRM1OPRL1OPRK1
SCHEMBL11459467 0.88 HRH3 (0.60) HRH3HRH1OPRM1OPRL1OPRK1
SCHEMBL11466219 0.85 HRH3 (0.64) HRH3HRH1SIGMAR1HTR1ACYP2D6
SCHEMBL31134797 0.82 ABCB1 (0.55) HRH3ABCB1KDM4E
SCHEMBL29438692 0.82 HRH3 (0.53) HRH3HRH1THRBSIGMAR1HTR1A
SCHEMBL2561968 0.81 HRH3 (0.61) HRH3HRH1CYP2D6
SCHEMBL5100620 0.81 HRH3 (1.00) HRH3HRH1
Hydrochloric Acid SCHEMBL5100918 0.80 HRH3 (0.98) HRH3HRH1
SCHEMBL14287598 0.80 HRH3 (0.94) HRH3HRH1

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 6 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 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 2/4885THRB 1371/4885

“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.