SCHEMBL4689783

SCHEMBL4689783

Oc1ccc(OCCN2CCC(O)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.58
ESR2 Q92731 6/20 0.58
LTA4H P09960 3/20 0.57
HRH3 Q9Y5N1 3/20 0.57
HRH2 P25021 1/20 0.57
HRH1 P35367 1/20 0.57
ACHE P22303 1/20 0.57
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2D6 P10635 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SIGMAR1 Q99720 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL12153404 0.86 LTA4H (0.63) LTA4HHRH3HRH2HRH1ACHE
SCHEMBL22804663 0.86 LTA4H (0.63) LTA4HHRH3HRH2HRH1ACHE
SCHEMBL14570558 0.86 HRH3 (0.66) LTA4HHRH3HRH2HRH1ACHE
SCHEMBL98426 0.85 LTA4H (0.66) LTA4HHRH3HRH2HRH1RAB9A
SCHEMBL4692595 0.84 LTA4H (0.69) ESR1ESR2LTA4HHRH3ACHE
SCHEMBL13649149 0.83 ESR1 (0.70) ESR1ESR2LTA4HHRH3
SCHEMBL2475993 0.83 ESR1 (0.75) ESR1ESR2LTA4HHRH3
SCHEMBL5591529 0.82 LTA4H (0.72) ESR1ESR2LTA4HHRH3KCNH2
SCHEMBL1359959 0.81 ESR1 (0.76) ESR1ESR2LTA4HHRH3
SCHEMBL699174 0.81 ESR1 (0.76) ESR1ESR2LTA4HHRH3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336125-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase Janssen Pharmaceutica N.V. (BE) 2011-06-22 EP disclosed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP disclosed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP disclosed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO disclosed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP disclosed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO 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 (3 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-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R ESR1 3422/4885ESR2 3172/4885LTA4H 1/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R ESR1 4798/4885ESR2 4475/4885LTA4H 1/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 ESR1 2594/4885ESR2 1779/4885LTA4H 1/4885

“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.