SCHEMBL4173329

SCHEMBL4173329

CC(C)c1ccc(NCc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
GAA P10253 4/20 0.50
ALOX12 P18054 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TSHR P16473 1/20 0.45
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
F2 P00734 1/20 0.45

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
SCHEMBL4180805 0.89 GAA (0.54) MAPTGAAALOX12L3MBTL1ALDH1A1
SCHEMBL854818 0.83 L3MBTL1 (0.64) MAPTGAAALOX12L3MBTL1ALDH1A1
SCHEMBL1844973 0.83 MAPT (0.66) MAPTGAAALOX12L3MBTL1ALDH1A1
SCHEMBL4182657 0.81 ALDH1A1 (0.59) MAPTGAAALOX12L3MBTL1ALDH1A1
SCHEMBL2737266 0.80 MEN1 (0.44) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL855119 0.79 KDM4E (0.56) MAPTGAAALOX12L3MBTL1ALDH1A1
SCHEMBL854733 0.78 CACNA1H (0.49) MAPTGAAALOX12L3MBTL1ALDH1A1
SCHEMBL11935866 0.77 L3MBTL1 (0.57) MAPTGAAALOX12L3MBTL1ALDH1A1
SCHEMBL17480805 0.77 MAPT (0.62) MAPTGAAALOX12L3MBTL1ALDH1A1
SCHEMBL855985 0.77 RAB9A (0.62) MAPTGAAALOX12L3MBTL1ALDH1A1

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
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
EP-1888584-A1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY Brystol-Myers Squibb Company (US) 2008-02-20 EP disclosed
EP-1758865-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2007-03-07 EP disclosed
WO-2006122137-A1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-16 WO disclosed
WO-2005121095-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2005-12-22 WO disclosed
US-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2005-12-15 US 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 (2 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-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide C5AR2, C5AR1, C3AR1 MAPT 4731/4885GAA 4630/4885ALOX12 181/4885
US-20090023774-A1 Pyridine analogs as C5A antagonists C5AR1, C3AR1, C5AR2 MAPT 4620/4885GAA 4669/4885ALOX12 456/4885

“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.