SCHEMBL2168650

SCHEMBL2168650

OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.71
KCNH2 Q12809 1/20 0.57
OPRM1 P35372 9/20 0.51
OPRL1 P41146 6/20 0.51
HTR1A P08908 3/20 0.50
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
HTR1D P28221 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
HTR7 P34969 3/20 0.50
OPRK1 P41145 3/20 0.50
DRD1 P21728 2/20 0.50
DRD5 P21918 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
DRD3 P35462 2/20 0.50
OPRD1 P41143 2/20 0.50
HTR2B P41595 2/20 0.50
HTR6 P50406 2/20 0.50

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
SCHEMBL2168316 0.86 LTA4H (0.86) LTA4HKCNH2OPRM1OPRL1HTR1A
SCHEMBL2169158 0.84 LTA4H (1.00) LTA4HKCNH2HTR1ADRD2DRD4
SCHEMBL2169654 0.82 LTA4H (0.71) LTA4HKCNH2OPRM1OPRL1HTR1A
SCHEMBL2171372 0.82 LTA4H (0.86) LTA4HKCNH2HTR1ADRD2DRD4
SCHEMBL2168398 0.79 LTA4H (0.91) LTA4HKCNH2HTR1ADRD2DRD4
SCHEMBL2170861 0.75 LTA4H (0.76) LTA4HKCNH2
SCHEMBL5174590 0.75 OPRM1 (0.58) OPRM1OPRL1HTR1ADRD2DRD4
SCHEMBL2168051 0.75 LTA4H (0.95) LTA4HKCNH2
SCHEMBL2169516 0.75 LTA4H (1.00) LTA4HKCNH2
SCHEMBL2168424 0.74 LTA4H (1.00) LTA4HKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726238-B2 2011-07-20 JP claimed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO claimed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP claimed
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 claimed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO claimed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP claimed
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 claimed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase ALKAHEST, INC. (US) 2022-08-30 US disclosed
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2022-07-21 US disclosed
US-11344542-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase ALKAHEST, INC. (US) 2022-05-31 US disclosed
EP-3793602-A1 TREATMENT OF AGING-ASSOCIATED DISEASE WITH MODULATORS OF LEUKOTRIENE A4 HYDROLASE Alkahest, Inc. (US) 2021-03-24 EP disclosed
CN-112469439-A With leukotriene A4Hydrolase modulators for the treatment of aging-related diseases 万能溶剂有限公司 2021-03-09 CN disclosed
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2020-11-26 US 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 (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-11344542-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885OPRM1 4375/4885
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885OPRM1 4375/4885
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885OPRM1 4375/4885
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R LTA4H 1/4885KCNH2 2161/4885OPRM1 2069/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R LTA4H 1/4885KCNH2 4064/4885OPRM1 1162/4885
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 3977/4885OPRM1 4375/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 LTA4H 1/4885KCNH2 3429/4885OPRM1 1125/4885

“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.