SCHEMBL3426705

SCHEMBL3426705

CN1CC=C(CCCOc2ccc(C#N)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.36
HSD11B2 P80365 2/20 0.36
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 8/20 0.34
GABRA5 P31644 1/20 0.34
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 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
SCHEMBL3426473 0.80 KDM4E (0.39) HRH3KDM4EALDH1A1L3MBTL1
SCHEMBL1626866 0.75 HRH3 (0.51) HRH3HRH2HRH1ALDH1A1HPGD
SCHEMBL1714568 0.74 HRH3 (0.56) HRH3HRH2HRH1
SCHEMBL1625928 0.72 HSD11B1 (0.44) HSD11B1HSD11B2HRH3HRH2HRH1
SCHEMBL27291360 0.71 KDM4E (0.58) HSD11B1HSD11B2GABRA5KDM4EALDH1A1
SCHEMBL18362733 0.71 MCHR1 (0.56) HRH3HRH2HRH1
SCHEMBL13347699 0.70 ALDH1A1 (0.61) HSD11B1HSD11B2GABRA5KDM4EALDH1A1
SCHEMBL16808230 0.70 ALDH1A1 (0.43) HSD11B1HSD11B2HRH3GABRA5KDM4E
SCHEMBL603275 0.69 HRH4 (0.43) HRH3HRH2
SCHEMBL7433167 0.69 ALDH1A1 (0.49) HSD11B1HSD11B2GABRA5KDM4EALDH1A1

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-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-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 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885
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 HSD11B1 3365/4885HSD11B2 3572/4885SLC6A4 1951/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HSD11B1 3582/4885HSD11B2 3665/4885SLC6A4 2610/4885

“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.