SCHEMBL4693552

SCHEMBL4693552

O=C1CC(O)CN1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.55
CHRM3 P20309 7/20 0.55
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
F10 P00742 5/20 0.50
ALDH1A1 P00352 1/20 0.50
HPN P05981 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
HGFAC Q04756 2/20 0.49
ST14 Q9Y5Y6 2/20 0.49
F2 P00734 3/20 0.49
ACHE P22303 1/20 0.48

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
SCHEMBL14116233 0.88 SIGMAR1 (0.43) CHRM2CHRM3CYP2D6CYP2C9F10
SCHEMBL14116439 0.88 SIGMAR1 (0.43) CHRM2CHRM3CYP2D6CYP2C9F10
SCHEMBL1850544 0.84 CYP2D6 (0.63) CHRM2CHRM3CYP2D6CYP2C9OPRM1
SCHEMBL23297070 0.84 ACHE (0.59) CHRM2CHRM3CYP2D6CYP2C9DRD2
SCHEMBL23296694 0.76 CHRM3 (0.53) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL23296831 0.76 CHRM3 (0.53) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL4585565 0.76 LTA4H (0.60) CHRM2CHRM3CYP2D6CYP2C9DRD2
SCHEMBL23296895 0.76 CHRM2 (0.54) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL16996639 0.76 TACR1 (0.51) CHRM2CHRM3ALDH1A1
SCHEMBL266138 0.76 NPC1 (0.71) DRD2DRD4DRD3ALDH1A1ACHE

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
CN-100591679-C Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV 2010-02-24 CN 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
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
CN-1860117-A Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-08 CN disclosed
CN-1856490-A Benzimidazole, benzothiazole and benzoxazole derivatives and their use as LTA4H modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-01 CN 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 (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 CHRM2 2695/4885CHRM3 2043/4885CYP2D6 926/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R CHRM2 1089/4885CHRM3 952/4885CYP2D6 2071/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 CHRM2 2989/4885CHRM3 1821/4885CYP2D6 1446/4885

“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.