SCHEMBL491626

SCHEMBL491626

c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 17/20 1.00
▸ KCNH2 Q12809 4/20 1.00
▸ HRH1 P35367 2/20 1.00
▸ HRH4 Q9H3N8 3/20 0.88
▸ LTA4H P09960 2/20 0.82
▸ NPC1 O15118 1/20 0.73
▸ RAB9A P51151 1/20 0.73

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
SCHEMBL4094594 0.98 HRH3 (1.00) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL10679417 0.94 HRH3 (0.97) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL4094339 0.93 HRH3 (1.00) HRH3KCNH2HRH1HRH4
SCHEMBL12050645 0.93 HRH3 (1.00) HRH3KCNH2HRH1HRH4
SCHEMBL492265 0.92 HRH3 (0.97) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL10676754 0.92 HRH3 (0.97) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL14970484 0.92 LTA4H (0.97) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL12050718 0.92 HRH3 (0.96) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL5857700 0.91 HRH3 (0.94) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL1899201 0.90 LTA4H (1.00) HRH3KCNH2HRH1HRH4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 — — US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 — — US disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 — — US disclosed
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 (3 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT HRH3 496/4885KCNH2 3982/4885HRH1 801/4885
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 1/4885KCNH2 387/4885HRH1 4/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A HRH3 904/4885KCNH2 4158/4885HRH1 1122/4885

“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.

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