SCHEMBL1628166

SCHEMBL1628166

CN1CCN(CCCOc2ccc(C=O)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
RAD52 P43351 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 6/20 0.49
DRD3 P35462 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
APP P05067 2/20 0.42

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
SCHEMBL18810223 0.85 HRH3 (0.49) ALDH1A1HRH3SIGMAR1KDM4EUSP2
SCHEMBL18259694 0.81 LTA4H (0.60) ALDH1A1HRH3DRD3KDM4E
SCHEMBL4731940 0.81 RAB9A (0.61) ALDH1A1HRH3DRD3NPC1RAB9A
SCHEMBL20322431 0.81 HRH3 (0.52) ALDH1A1HRH3DRD3NPC1RAB9A
SCHEMBL1625904 0.80 KDM4E (0.41) ALDH1A1HRH3KDM4EATM
SCHEMBL3424699 0.78 ALDH1A1 (0.52) ALDH1A1MEN1RAD52KMT2AHRH3
SCHEMBL21821894 0.78 HPGD (0.47) SIGMAR1KDM4EHPGD
SCHEMBL20323753 0.78 HRH3 (0.59) ALDH1A1HRH3DRD3NPC1RAB9A
SCHEMBL20233909 0.78 HRH3 (0.59) ALDH1A1HRH3DRD3NPC1RAB9A
SCHEMBL29038419 0.77 FDPS (0.65) ALDH1A1NPC1RAB9AKDM4EHPGD

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 39 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-8017600-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-8017639-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-7956057-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-06-07 US disclosed
US-7956066-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-7253200-B2 Using in leukocyte recruitment inhibition, in modulating H4 receptor expression, and in treating conditions such as inflammation, H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-07 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-20070173513-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-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-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 (8 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 ALDH1A1 3379/4885MEN1 4825/4885RAD52 3219/4885
US-20070173512-A1 Imidazole compounds HRH4, HRH3, HRH2 ALDH1A1 3643/4885MEN1 4765/4885RAD52 3954/4885
US-20070173509-A1 Imidazole compounds HRH4, HRH3, HRH2 ALDH1A1 3643/4885MEN1 4765/4885RAD52 3954/4885
US-20070149541-A1 Imidazole compounds HRH4, HRH3, HRH2 ALDH1A1 3643/4885MEN1 4765/4885RAD52 3954/4885
US-20070173510-A1 Imidazole compounds HRH4, HRH3, HRH2 ALDH1A1 3643/4885MEN1 4765/4885RAD52 3954/4885
US-20100261899-A1 IMIDAZOLE COMPOUNDS HRH4, HRH3, HRH2 ALDH1A1 3643/4885MEN1 4765/4885RAD52 3954/4885
US-20070173513-A1 Imidazole compounds HRH4, HRH3, HRH2 ALDH1A1 3643/4885MEN1 4765/4885RAD52 3954/4885
US-20050261309-A1 Imidazole compounds HRH4, HRH3, HRH2 ALDH1A1 3643/4885MEN1 4765/4885RAD52 3954/4885

“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.