SCHEMBL2167936

SCHEMBL2167936

CCCN(CCc1ccc(Oc2nc3ccccc3[nH]2)cc1)CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRK1 P41145 6/20 0.43
LTA4H P09960 5/20 0.43
OPRD1 P41143 3/20 0.43
KCNH2 Q12809 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37

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
SCHEMBL2170043 0.83 ATP4A (0.53) OPRM1OPRK1LTA4HOPRD1GRIN1
SCHEMBL14117144 0.82 LTA4H (0.41) LTA4HGRIN1GRIN2BKDM4CMEN1
SCHEMBL2168435 0.78 LTA4H (0.47) OPRM1LTA4HOPRD1KCNH2GRIN1
SCHEMBL2169011 0.78 LTA4H (0.47) OPRM1OPRK1LTA4HOPRD1KCNH2
SCHEMBL2167786 0.78 LTA4H (0.56) LTA4HKCNH2ATP4AATP4B
SCHEMBL29936643 0.78 LTA4H (0.56) LTA4HKCNH2ATP4AATP4B
SCHEMBL4998288 0.76 LTA4H (0.44) LTA4HKCNH2GRIN1GRIN2BKDM4C
SCHEMBL2168662 0.75 LTA4H (0.54) LTA4HGRIN1GRIN2BKDM4CMEN1
SCHEMBL6361890 0.73 LTA4H (0.48) LTA4HKCNH2GRIN1GRIN2BKDM4C
SCHEMBL4998292 0.73 LTA4H (0.42) LTA4HKCNH2GRIN1GRIN2BKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726238-B2 2011-07-20 JP 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
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO 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
EP-1660491-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 OPRM1 4375/4885OPRK1 4007/4885LTA4H 1/4885
US-11426399-B2 Treatment of aging-associated disease with modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S OPRM1 4375/4885OPRK1 4007/4885LTA4H 1/4885
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S OPRM1 4375/4885OPRK1 4007/4885LTA4H 1/4885
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R OPRM1 2069/4885OPRK1 1161/4885LTA4H 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 OPRM1 1162/4885OPRK1 1768/4885LTA4H 1/4885
US-20200368220-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S OPRM1 4375/4885OPRK1 4007/4885LTA4H 1/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 OPRM1 1125/4885OPRK1 1226/4885LTA4H 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.