SCHEMBL4692500

SCHEMBL4692500

CC(=O)O[C@H]1CC(=O)N(C2CCNCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.38
CHRM1 P11229 4/20 0.38
CHRM4 P08173 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM5 P08912 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP1 P09874 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4688219 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL4692361 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3CHRM5
Acetic Acid SCHEMBL1889272 0.77 POLB (0.35) POLBGAACYP2C19
Acetic Acid SCHEMBL4692496 0.76 POLB (0.43) POLBGAAKMT2ANPSR1PARP1
Acetic Acid SCHEMBL4692357 0.76 POLB (0.43) POLBGAAKMT2ANPSR1PARP1
Acetic Acid SCHEMBL4688216 0.76 POLB (0.43) POLBGAAKMT2ANPSR1PARP1
Hydrochloric Acid SCHEMBL3075348 0.71 POLB (0.40) POLBGAAMEN1KMT2ANPSR1
SCHEMBL1490076 0.71 GABRA1 (0.41) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL6612825 0.71 POLB (0.59) POLBGAAMEN1KMT2ANPSR1
SCHEMBL21026694 0.71 BRD4 (0.49) CHRM2CHRM1CHRM4CHRM3CHRM5

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-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 CHRM2 2695/4885CHRM1 2334/4885CHRM4 1216/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R CHRM2 1089/4885CHRM1 936/4885CHRM4 675/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 CHRM2 2989/4885CHRM1 2535/4885CHRM4 986/4885

“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.