SCHEMBL491637

SCHEMBL491637

C[C@@H]1C[C@H](C)CN(CCCOc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.72
MAOB P27338 1/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
MAPK1 P28482 1/20 0.62
KCNH2 Q12809 2/20 0.61
HRH1 P35367 2/20 0.61
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HRH4 Q9H3N8 1/20 0.55
HRH2 P25021 1/20 0.54

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
SCHEMBL4083966 1.00 HRH3 (0.72) HRH3MAOBRAB9ANPC1MAPK1
SCHEMBL491666 1.00 HRH3 (0.72) HRH3MAOBRAB9ANPC1MAPK1
SCHEMBL491668 1.00 HRH3 (0.72) HRH3MAOBRAB9ANPC1MAPK1
SCHEMBL4094371 0.89 HRH3 (0.62) HRH3MAOBHRH1KDM4ESMN1; SMN2
SCHEMBL4093906 0.89 HRH3 (0.62) HRH3MAOBRAB9ANPC1HRH1
SCHEMBL4597205 0.89 HRH3 (0.62) HRH3MAOBRAB9ANPC1HRH1
SCHEMBL4093895 0.89 HRH3 (0.62) HRH3MAOBRAB9ANPC1HRH1
SCHEMBL4094374 0.89 HRH3 (0.62) HRH3MAOBHRH1KDM4ESMN1; SMN2
SCHEMBL4094378 0.89 HRH3 (0.62) HRH3MAOBHRH1KDM4ESMN1; SMN2
SCHEMBL4093901 0.89 HRH3 (0.62) HRH3MAOBRAB9ANPC1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106041-B2 Combination product comprising an antagonist or inverse agonist of histamine receptor H3 and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs BIOPROJET (FR) 2012-01-31 US disclosed
EP-1641461-B1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H<SB>3</SB> AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET SOC CIV (FR) 2010-09-29 EP disclosed
US-20060210624-A1 Combination product comprising an antagonist or inverse agonist of histamine receptor h<sb>3 </sb>and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs BIOPROJET (FR) 2006-09-21 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-20060210624-A1 Combination product comprising an antagonist or inverse agonist of histamine receptor h<sb>3 </sb>and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs HRH3, HRH4, HRH2 HRH3 1/4885MAOB 580/4885RAB9A 2594/4885

“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.