SCHEMBL1626586

SCHEMBL1626586

CN1CCC(CCCCOc2cc(C#N)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSK P43235 1/20 0.42
VNN1 O95497 1/20 0.41
NMT1 P30419 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MGLL Q99685 1/20 0.39
HCRTR2 O43614 6/20 0.38
HCRTR1 O43613 5/20 0.38
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
ABL2 P42684 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL447842 0.93 CTSS (0.48) CTSSCTSLCTSKVNN1CYP11B1
SCHEMBL427397 0.86 SIGMAR1 (0.43) VNN1CYP11B1CYP11B2HRH3MGLL
SCHEMBL3427881 0.81 USP2 (0.49) CTSSCTSKHRH3SIGMAR1
SCHEMBL1626059 0.80 HRH1 (0.50) VNN1HRH3MGLL
SCHEMBL426645 0.79 HRH4 (0.44) HRH4CTSSCTSLCTSKNMT1
SCHEMBL1627975 0.79 HRH4 (0.43) HRH4CTSSCTSLCTSKNMT1
SCHEMBL3477675 0.78 HCRTR1 (0.46) HCRTR2HCRTR1
SCHEMBL1625928 0.78 HSD11B1 (0.44) HRH4CTSSCTSLCTSKVNN1
SCHEMBL3425057 0.78 HRH3 (0.50) CTSSCTSKHRH3SIGMAR1
SCHEMBL2195452 0.77 NFE2L2 (0.46) CTSSCTSLCTSKMGLL

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737297-B1 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2012-12-19 EP disclosed
US-8039498-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-10-18 US disclosed
US-8017639-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-8017600-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-7956066-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-06-07 US disclosed
US-7956057-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-06-07 US disclosed
US-7956071-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-06-07 US disclosed
US-7951808-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
US-7928131-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-20100261899-A1 IMIDAZOLE COMPOUNDS BUZARD DANIEL J 2010-10-14 US disclosed
US-20070173512-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-07-26 US disclosed
US-20070173509-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-07-26 US disclosed
US-20070173510-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-07-26 US disclosed
US-20070149541-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-06-28 US disclosed
EP-1737297-A2 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-03 EP disclosed
EP-1673348-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-28 EP disclosed
US-20050261309-A1 Imidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 US disclosed
WO-2005092066-A2 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-06 WO 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 (7 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-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 HRH4 1/4885CTSS 1638/4885CTSL 1743/4885
US-20070173512-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885CTSS 2086/4885CTSL 2378/4885
US-20070173509-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885CTSS 2086/4885CTSL 2378/4885
US-20070149541-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885CTSS 2086/4885CTSL 2378/4885
US-20070173510-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885CTSS 2086/4885CTSL 2378/4885
US-20100261899-A1 IMIDAZOLE COMPOUNDS HRH4, HRH3, HRH2 HRH4 1/4885CTSS 2086/4885CTSL 2378/4885
US-20050261309-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885CTSS 2086/4885CTSL 2378/4885

“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.