SCHEMBL3425972

SCHEMBL3425972

CN1CCC(OCCCOc2cccc(C#N)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.55
CCR3 P51677 3/20 0.55
HRH3 Q9Y5N1 4/20 0.48
TBXAS1 P24557 1/20 0.46
HTR2C P28335 1/20 0.42
VNN1 O95497 1/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH2 P25021 3/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1626059 0.83 HRH1 (0.50) HRH1CCR3HRH3TBXAS1HTR2C
SCHEMBL3605627 0.81 MET (0.52) VNN1SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL3289104 0.80 HRH3 (0.68) HRH1CCR3HRH3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL4227255 0.79 HRH3 (0.67) HRH1CCR3HRH3SLC6A4SLC6A2
SCHEMBL3423446 0.78 MAOA (0.43) HRH3DRD2DRD3ALDH1A1
SCHEMBL3601894 0.77 DRD2 (0.50) HRH1CCR3TBXAS1VNN1SLC6A4
SCHEMBL4443660 0.75 HRH3 (0.60) HRH1CCR3HRH3SLC6A4SLC6A2
SCHEMBL11466424 0.75 CHRNB4 (0.55) HRH1CCR3TBXAS1SLC6A4
SCHEMBL22835727 0.74 MGLL (0.50) HRH1CCR3
SCHEMBL7388461 0.73 TBXAS1 (0.56) HRH1CCR3TBXAS1

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-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-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-20090270613-A1 Benzoimidazole compounds EDWARDS JAMES P 2009-10-29 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-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-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-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 HRH1 5/4885CCR3 57/4885HRH3 2/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH1 5/4885CCR3 57/4885HRH3 2/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH1 5/4885CCR3 57/4885HRH3 2/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH1 5/4885CCR3 57/4885HRH3 2/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH1 5/4885CCR3 57/4885HRH3 2/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH1 5/4885CCR3 57/4885HRH3 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 HRH1 15/4885CCR3 76/4885HRH3 2/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 HRH1 5/4885CCR3 57/4885HRH3 2/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH1 5/4885CCR3 57/4885HRH3 2/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH1 5/4885CCR3 57/4885HRH3 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.