SCHEMBL2563822

SCHEMBL2563822

CN1CCCC(Oc2ccc3c(c2)CN(Cc2cccs2)CC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PRMT5 O14744 12/20 0.43
WDR77 Q9BQA1 12/20 0.43
ACACB O00763 2/20 0.43
PDE4B Q07343 2/20 0.41
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL2564105 0.84 ACACB (0.52) PRMT5WDR77ACACBPDE4BHRH3
SCHEMBL2561454 0.81 HRH3 (0.46) PRMT5WDR77ACACBCYP2D6HRH3
SCHEMBL2560796 0.79 DRD2 (0.50) PRMT5WDR77ACACBCYP2D6HRH3
SCHEMBL2566679 0.79 ACACB (0.46) PRMT5WDR77ACACBCYP2D6HRH3
SCHEMBL2561968 0.79 HRH3 (0.61) PRMT5WDR77ACACBCYP2D6HRH3
Oxalic Acid SCHEMBL3550835 0.74 HRH3 (0.56) PRMT5WDR77ACACBCYP2D6HRH3
SCHEMBL21509746 0.70 ALDH1A1 (0.64) KDM4EALDH1A1ALOX15TSHRCASP1
SCHEMBL6973623 0.69 ALDH1A1 (0.63) KDM4EALDH1A1ALOX15TSHRCASP1
SCHEMBL28992968 0.67 KDM4E (0.57) KDM4EALDH1A1ALOX15TSHRCASP1
SCHEMBL10679512 0.67 KDM4E (0.63) KDM4EALDH1A1ALOX15TSHRCASP1

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 KDM4E 1797/4885ALDH1A1 831/4885ALOX15 2451/4885

“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.