SCHEMBL3425976

SCHEMBL3425976

CN(C)Cc1cc(OCCCC2CCN(C)CC2)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
GPR119 Q8TDV5 3/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAOA P21397 4/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
MAOB P27338 3/20 0.41
HRH3 Q9Y5N1 4/20 0.41
BACE1 P56817 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC6A4 P31645 6/20 0.40
HTR1A P08908 4/20 0.40
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 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
SCHEMBL3425082 0.85 GPR119 (0.43) NOS2GPR119HTR2AHTR2CMAOA
SCHEMBL3423686 0.75 MAOA (0.38) GPR119MAOAMAOBHRH3SIGMAR1
SCHEMBL604397 0.73 HRH4 (0.52)
SCHEMBL605117 0.73 HRH4 (0.63) HRH3
SCHEMBL6416754 0.72 HTR1A (0.69) SLC6A4HTR1A
SCHEMBL1626212 0.69 HPGD (0.49) GPR119HTR2AHTR2CACHEHRH3
SCHEMBL6411118 0.69 HTR1A (0.71) SLC6A4HTR1A
SCHEMBL3424681 0.69 HPGD (0.49) GPR119MAOAMAOBHRH3
SCHEMBL13865091 0.68 ROCK1 (0.49) GPR119MAOAMAOBHRH3SIGMAR1
SCHEMBL13867833 0.68 KCNH2 (0.52) MAOAHRH3CYP2D6

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-7723527-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-7723526-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-20090270611-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090270366-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-20090264645-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 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-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 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885
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 NOS2 1889/4885NOS3 1711/4885NOS1 2280/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NOS2 2876/4885NOS3 2536/4885NOS1 3461/4885

“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.