SCHEMBL3425233

SCHEMBL3425233

CN1CCC(CCCOc2ccc(Br)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
ACHE P22303 2/20 0.37
QPCT Q16769 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
NMT1 P30419 2/20 0.35
KDM1A O60341 1/20 0.35
NPY1R P25929 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL3424759 0.96 HRH4 (0.46) HRH4EGFRFGFR1FLT1FLT4
SCHEMBL23012782 0.85 ATM (0.42) EGFRFGFR1FLT1FLT4KDR
SCHEMBL1625904 0.82 KDM4E (0.41) HRH4HRH3ACHEQPCTKDM4E
SCHEMBL9085482 0.81 NPC1 (0.38) HRH4HRH3KDM4ERECQLTDP1
SCHEMBL1625928 0.81 HSD11B1 (0.44) HRH4HRH3
SCHEMBL30002160 0.80 GPR119 (0.48) GPR119
SCHEMBL27086549 0.80 GPR119 (0.48) GPR119
SCHEMBL3424922 0.80 HRH4 (0.48) HRH4EGFRFGFR1FLT1FLT4
SCHEMBL15632943 0.79 IDO1 (0.40) ACHEKDM4EALDH1A1KDM1A
SCHEMBL31436855 0.77 HTR1B (0.53) HRH3KDM4ETDP1

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-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 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885
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 1/4885EGFR 2188/4885FGFR1 774/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885EGFR 2360/4885FGFR1 788/4885

“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.