SCHEMBL3423686

SCHEMBL3423686

CN1CCC(CCCOc2ccc(Br)c(C3OCCCO3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.38
GPR119 Q8TDV5 2/20 0.38
HRH3 Q9Y5N1 6/20 0.37
HRH1 P35367 1/20 0.37
SLC6A4 P31645 3/20 0.35
HTR1A P08908 2/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
MAOB P27338 4/20 0.35
ROCK1 Q13464 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3423774 0.84 GPR119 (0.38) MAOAGPR119HRH3HRH1KCNH2
SCHEMBL3425976 0.75 NOS2 (0.47) MAOAGPR119HRH3SLC6A4HTR1A
SCHEMBL3425911 0.73 HRH4 (0.60) HRH3
SCHEMBL29995130 0.71 NPC1 (0.47)
SCHEMBL17796062 0.71 NPC1 (0.47)
SCHEMBL13867833 0.68 KCNH2 (0.52) MAOAHRH3CYP2D6KCNH2ROCK1
SCHEMBL1626212 0.66 HPGD (0.49) GPR119HRH3
SCHEMBL3424681 0.66 HPGD (0.49) MAOAGPR119HRH3MAOB
SCHEMBL1119892 0.66 NPC1 (0.52) HTR1ASIGMAR1
SCHEMBL29404769 0.66 NPC1 (0.52) HTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723526-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7723359-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7723527-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7705149-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 US disclosed
US-7705143-B2 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-[1,4]diazepan-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; use in leukocyte recruitment inhibition, in modulating H4 receptor, and in treating conditions such as inflammation, H4 receptor-mediated conditions JANSSEN PHARMACEUTICA N.V. (BG) 2010-04-27 US disclosed
US-7662966-B2 For example, 5-tert-Butyl-2-{2-[4-(1-methyl-piperidin-4-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; use in leukocyte recruitment inhibition, in modulating H4 receptor, and in treating conditions such as inflammation, H4 receptor-mediated conditions, and related conditions JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-16 US disclosed
US-20090281307-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-12 US disclosed
US-20090275748-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-05 US disclosed
US-20090270366-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090270611-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090270613-A1 Benzoimidazole compounds EDWARDS JAMES P 2009-10-29 US disclosed
US-20090264647-A1 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-piperazin-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; leukocyte recruitment inhibition, modulating H4 receptor, and treating conditions such as inflammation JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264646-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264645-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090247508-A1 Benzoimidazole Compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 US disclosed
EP-1673348-B1 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
US-7432378-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-07 US disclosed
EP-1673348-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-28 EP disclosed
WO-2005044807-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-19 WO disclosed
US-20050070550-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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 (10 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-20090270613-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885
US-20090264647-A1 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-piperazin-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; leukocyte recruitment inhibition, modulating H4 receptor, and treating conditions such as inflammation HRH4, HRH3, BRD4 MAOA 3500/4885GPR119 499/4885HRH3 2/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 MAOA 4112/4885GPR119 309/4885HRH3 2/4885

“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.