SCHEMBL4688380

SCHEMBL4688380

CCN(CC)CCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.77
CYP2D6 P10635 2/20 0.77
HTT P42858 2/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2C19 P33261 2/20 0.77
CYP2C9 P11712 1/20 0.77
KCNH2 Q12809 3/20 0.68
MCHR1 Q99705 1/20 0.68
ESR1 P03372 4/20 0.60
ESR2 Q92731 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
EBP Q15125 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
DRD3 P35462 3/20 0.57
PTGS1 P23219 3/20 0.57
SLC6A2 P23975 3/20 0.57
SLC6A3 Q01959 3/20 0.57
CHRM2 P08172 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57

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
Tesmilifene SCHEMBL112525 0.87 LTA4H (1.00) LTA4HCYP2D6HTTCYP1A2CYP2C19
SCHEMBL12610941 0.86 CYP2D6 (0.74) LTA4HCYP2D6HTTCYP1A2CYP2C19
SCHEMBL1405290 0.86 CYP2D6 (0.74) LTA4HCYP2D6HTTCYP1A2CYP2C19
Tesmilifene SCHEMBL1650384 0.85 LTA4H (0.97) LTA4HCYP2D6HTTCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL10503798 0.85 CYP2D6 (0.79) LTA4HCYP2D6HTTCYP1A2CYP2C19
SCHEMBL11840883 0.85 L3MBTL1 (0.57) LTA4HCYP2D6HTTCYP1A2CYP2C19
Bromide SCHEMBL1173547 0.84 CYP2D6 (0.72) LTA4HCYP2D6HTTCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL10505479 0.84 CYP2D6 (0.72) LTA4HCYP2D6HTTCYP1A2CYP2C19
Tesmilifene SCHEMBL1650386 0.84 LTA4H (0.94) LTA4HCYP2D6HTTCYP1A2CYP2C19
SCHEMBL9706125 0.84 EBP (0.72) LTA4HCYP2D6HTTCYP1A2CYP2C19

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 LTA4H 1/4885CYP2D6 926/4885HTT 1395/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R LTA4H 1/4885CYP2D6 2071/4885HTT 1481/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 LTA4H 1/4885CYP2D6 1446/4885HTT 3209/4885

“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.