SCHEMBL4692502

SCHEMBL4692502

OC(COc1ccc(OCc2ccccc2)cc1)CN1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
RAB9A P51151 1/20 0.70
HSD17B10 Q99714 1/20 0.70
GAA P10253 1/20 0.67
KMT2A Q03164 1/20 0.67
ABCB1 P08183 9/20 0.67
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 1/20 0.62
PRMT5 O14744 1/20 0.60
WDR77 Q9BQA1 1/20 0.60
KDM4E B2RXH2 1/20 0.55
CYP2D6 P10635 2/20 0.54
HIF1A Q16665 1/20 0.54
DRD4 P21917 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL2027614 0.91 ABCB1 (0.61) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL2027615 0.91 ABCB1 (0.61) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL13898292 0.90 L3MBTL1 (0.69) TSHRKMT2AABCB1L3MBTL1KDM4E
SCHEMBL16808048 0.87 ABCB1 (0.63) TSHRABCB1L3MBTL1KDM4ECYP2D6
SCHEMBL16808047 0.87 ABCB1 (0.63) TSHRABCB1L3MBTL1KDM4ECYP2D6
SCHEMBL16808052 0.87 TSHR (0.67) TSHRABCB1L3MBTL1KDM4ECYP2D6
SCHEMBL7287955 0.86 TSHR (0.70) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL7287792 0.86 TSHR (0.70) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL7289790 0.86 TSHR (0.70) TSHRRAB9AHSD17B10GAAKMT2A
SCHEMBL13898527 0.86 L3MBTL1 (0.63) TSHRKMT2AABCB1L3MBTL1KDM4E

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 TSHR 2895/4885RAB9A 4241/4885HSD17B10 630/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R TSHR 4007/4885RAB9A 3861/4885HSD17B10 1234/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 TSHR 2844/4885RAB9A 3694/4885HSD17B10 577/4885

“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.