SCHEMBL4693375

SCHEMBL4693375

CCOC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.96

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.76
EGFR P00533 2/20 0.72
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
LTA4H P09960 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
TP53 P04637 1/20 0.67
MAPT P10636 1/20 0.67
CCR8 P51685 1/20 0.66
HRH3 Q9Y5N1 1/20 0.66
LMNA P02545 2/20 0.64
ALDH1A1 P00352 1/20 0.63
KDM4E B2RXH2 2/20 0.63

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
SCHEMBL7415473 0.93 L3MBTL1 (0.67) L3MBTL1EGFRNPC1RAB9ALTA4H
SCHEMBL608528 0.89 ALDH1A1 (0.76) SMN1; SMN2MAPTCCR8ALDH1A1KDM4E
SCHEMBL5173797 0.88 HRH3 (0.71) L3MBTL1EGFRNPC1RAB9ALTA4H
Hydrochloric Acid SCHEMBL7438287 0.88 ALDH1A1 (0.74) SMN1; SMN2MAPTCCR8ALDH1A1KDM4E
SCHEMBL8791924 0.87 CCR8 (0.81) L3MBTL1LTA4HSMN1; SMN2MAPTCCR8
SCHEMBL27658773 0.86 RAB9A (0.78) L3MBTL1NPC1RAB9ALTA4HSMN1; SMN2
SCHEMBL7467785 0.85 HRH3 (0.76) RAB9ALTA4HSMN1; SMN2MAPTHRH3
SCHEMBL3317577 0.84 L3MBTL1 (0.71) L3MBTL1SMN1; SMN2MAPTCCR8HRH3
SCHEMBL6988354 0.83 KDM4E (0.74) NPC1RAB9ASMN1; SMN2MAPTCCR8
SCHEMBL1888780 0.83 KDM4E (0.74) SMN1; SMN2MAPTCCR8HRH3ALDH1A1

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 11 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
EP-1660491-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP 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 (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 L3MBTL1 1670/4885EGFR 3553/4885NPC1 672/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R L3MBTL1 1348/4885EGFR 4402/4885NPC1 3580/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 L3MBTL1 1782/4885EGFR 4018/4885NPC1 1444/4885

“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.