SCHEMBL2563972

SCHEMBL2563972

CN1CCCC1CCOc1ccc2c(c1)CN(Cc1ccccc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
REV1 Q9UBZ9 1/20 0.48
ACACB O00763 2/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD4 P21917 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2D6 P10635 1/20 0.47
HRH1 P35367 1/20 0.47
ESRRG P62508 3/20 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
SCHEMBL2564050 0.85 HRH3 (0.55) HRH3HRH1ESRRGESR1
SCHEMBL2565799 0.83 HRH3 (0.58) HRH3DRD3HRH1
SCHEMBL2564836 0.83 HRH3 (0.55) HRH3HRH1
SCHEMBL5223664 0.83 HRH3 (0.55) HRH3HRH1
SCHEMBL2563832 0.83 HRH3 (0.50) HRH3ACACBHRH1
SCHEMBL2560963 0.82 HRH3 (0.70) HRH3CYP2D6HRH1
SCHEMBL2563410 0.82 HRH3 (0.70) HRH3CYP2D6HRH1
SCHEMBL2566752 0.82 HRH3 (0.49) HRH3ACACBHRH1OPRM1OPRD1
SCHEMBL2563611 0.82 HRH3 (0.70) HRH3CYP2D6HRH1
Hydrochloric Acid SCHEMBL3552392 0.82 HRH3 (0.69) HRH3CYP2D6HRH1ESRRGESR1

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 5 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
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 1/4885L3MBTL1 1949/4885REV1 2757/4885

“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.