SCHEMBL3422128

SCHEMBL3422128

Cc1cnc(OCCCCC2CCN(C)CC2)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.51
NMT1 P30419 5/20 0.36
QPCT Q16769 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 3/20 0.33
NPY1R P25929 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ATM Q13315 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL3422676 0.87 HRH4 (0.44) HRH4NMT1QPCTHRH3MEN1
SCHEMBL3425503 0.87 HRH4 (0.44) HRH4NMT1QPCTHRH3MEN1
SCHEMBL3422680 0.87 HRH4 (0.45) HRH4NMT1QPCTHRH3ACHE
SCHEMBL3424714 0.85 HRH4 (0.42) HRH4NMT1QPCTHRH3MEN1
SCHEMBL3423689 0.84 HRH4 (0.40) HRH4NMT1QPCTHRH3ALDH1A1
SCHEMBL3425710 0.78 HRH4 (0.50) HRH4NMT1QPCTHRH3ACHE
SCHEMBL1627975 0.78 HRH4 (0.43) HRH4NMT1QPCTACHECTSL
SCHEMBL1625904 0.76 KDM4E (0.41) HRH4NMT1QPCTHRH3ALDH1A1
SCHEMBL3423454 0.73 SRC (0.46) HRH4CTSLCTSSCTSKSSTR4
SCHEMBL16078310 0.72 POLB (0.48) MEN1ALDH1A1KMT2A

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-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-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-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-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 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885
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 HRH4 1/4885NMT1 3065/4885QPCT 3673/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885NMT1 2845/4885QPCT 3817/4885

“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.