SCHEMBL4692610

SCHEMBL4692610

Oc1ccc(OCCCN2CCC(O)(Cc3ccccc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.69
GRIN3B O60391 2/20 0.69
GRIN1 Q05586 2/20 0.69
GRIN2A Q12879 2/20 0.69
GRIN2B Q13224 2/20 0.69
GRIN2C Q14957 2/20 0.69
GRIN3A Q8TCU5 2/20 0.69
MAPT P10636 1/20 0.69
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HRH3 Q9Y5N1 2/20 0.52
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 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
Hydrochloric Acid SCHEMBL7290147 0.99 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6207318 0.94 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6207785 0.93 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7294820 0.93 KDM4E (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6207790 0.92 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7287564 0.87 MAPT (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7290504 0.86 KDM4E (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7286173 0.86 LTA4H (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6207626 0.85 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6208483 0.84 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 GRIN2D 3838/4885GRIN3B 2272/4885GRIN1 2002/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R GRIN2D 4177/4885GRIN3B 2885/4885GRIN1 2194/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 GRIN2D 3617/4885GRIN3B 1577/4885GRIN1 1521/4885

“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.