SCHEMBL3550839

SCHEMBL3550839

CN1CCCC(Oc2ccc3c(c2)C(OC(=O)C(=O)OC2c4cc(OC5CCCN(C)CC5)ccc4CCN2CC2CCCCC2)N(CC2CCCCC2)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
PRMT5 O14744 4/20 0.37
WDR77 Q9BQA1 4/20 0.37
PARP1 P09874 1/20 0.36
OPRK1 P41145 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
Oxalic Acid SCHEMBL3550835 0.78 HRH3 (0.56) PRMT5WDR77HRH3CYP2D6
SCHEMBL2561968 0.76 HRH3 (0.61) PRMT5WDR77HRH3CYP2D6
SCHEMBL2567757 0.72 PARP1 (0.41) PARP1HRH3CYP2D6PDE4APDE4B
Oxalic Acid SCHEMBL3548999 0.71 HRH3 (0.42) PRMT5WDR77PARP1HRH3KCNH2
SCHEMBL2560214 0.69 HRH3 (0.45) PRMT5WDR77PARP1HRH3KCNH2
SCHEMBL10686530 0.67 MAOA (0.46) PARP1HRH3CYP2D6PDE4APDE4B
SCHEMBL2561454 0.66 HRH3 (0.46) PRMT5WDR77PARP1HRH3CYP2D6
SCHEMBL2564105 0.66 ACACB (0.52) ROCK1PRMT5WDR77OPRK1HRH3
SCHEMBL2560796 0.65 DRD2 (0.50) PRMT5WDR77HRH3CYP2D6
SCHEMBL10682908 0.65 HRH3 (0.51) PARP1HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ROCK1 3250/4885SCN1A 450/4885SCN2A 546/4885

“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.