SCHEMBL4229987

SCHEMBL4229987

O=C(Cl)c1ccc(OCCCN2CCCCC2)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.58
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
HRH3 Q9Y5N1 4/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49

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
Hydrochloric Acid SCHEMBL5935403 0.99 MAOB (0.57) MAOBKDM4EALDH1A1SMN1; SMN2ESR1
SCHEMBL4235138 0.91 MAOB (0.60) MAOBKDM4EALDH1A1SMN1; SMN2ESR1
Hydrochloric Acid SCHEMBL5935401 0.89 MAOB (0.59) MAOBKDM4EALDH1A1SMN1; SMN2ESR1
Hydrochloric Acid SCHEMBL5935445 0.86 HRH3 (0.60) MAOBKDM4EALDH1A1SMN1; SMN2ESR1
Hydrochloric Acid SCHEMBL5935375 0.83 MAOB (0.60) MAOBKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL27878428 0.83 MAOB (0.77) MAOBKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4224579 0.82 KDM4E (0.67) MAOBKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL4233027 0.82 HRH3 (0.55) MAOBKDM4EALDH1A1SMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL5935382 0.82 HRH3 (0.53) MAOBESR1ESR2HRH3
Hydrochloric Acid SCHEMBL4224438 0.81 HRH3 (0.54) MAOBKDM4EALDH1A1SMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
US-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands BEST DESMOND J 2006-03-09 US disclosed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
EP-1554260-A1 ARYLOXYALKYLAMINE DERIVATIVES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037800-A1 ARYLOXYALKYLAMINE DERIVATES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO 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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 MAOB 201/4885KDM4E 1909/4885ALDH1A1 2111/4885
US-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands HRH3, HTR6, HTR4 MAOB 210/4885KDM4E 563/4885ALDH1A1 1017/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B MAOB 29/4885KDM4E 1950/4885ALDH1A1 1104/4885

“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.