SCHEMBL3553406

SCHEMBL3553406

CN1CCCC1CCOc1ccc2c(c1)C(OC(=O)C(=O)OC1c3cc(OCCC4CCCN4C)ccc3CCN1CC1CCCCC1)N(CC1CCCCC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
ESRRG P62508 7/20 0.40
ESR1 P03372 5/20 0.40
ESRRB O95718 3/20 0.40
KCNH2 Q12809 2/20 0.40
ESRRA P11474 1/20 0.39
HRH1 P35367 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
SCHEMBL3550839 0.80 ROCK1 (0.38) HRH3KCNH2
Oxalic Acid SCHEMBL3553401 0.79 HRH3 (0.64) HRH3ESRRGESR1ESRRBKCNH2
SCHEMBL2560963 0.77 HRH3 (0.70) HRH3HRH1
SCHEMBL2563410 0.77 HRH3 (0.70) HRH3HRH1
SCHEMBL2563611 0.77 HRH3 (0.70) HRH3HRH1
SCHEMBL2560471 0.76 HRH3 (0.72) HRH3HRH1
Hydrochloric Acid SCHEMBL3552392 0.76 HRH3 (0.69) HRH3ESRRGESR1ESRRBKCNH2
Oxalic Acid SCHEMBL5229363 0.75 HRH3 (0.44) HRH3ESRRGESR1ESRRBKCNH2
SCHEMBL2563412 0.73 HRH3 (0.41) HRH3ESRRGESR1ESRRBKCNH2
SCHEMBL2563612 0.73 HRH3 (0.41) HRH3ESRRGESR1ESRRBKCNH2

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 HRH3 1/4885ESRRG 1002/4885ESR1 1085/4885

“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.