SCHEMBL855311

SCHEMBL855311

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
ALOX15 P16050 2/20 0.52
ALOX12 P18054 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ADRA2A P08913 1/20 0.49
CACNA1B Q00975 1/20 0.49
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 3/20 0.47
TMEM97 Q5BJF2 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL7345712 0.86 FFAR1 (0.68) FFAR1ALDH1A1MAPTADRA2ACACNA1B
SCHEMBL854818 0.86 L3MBTL1 (0.64) ALDH1A1KDM4EGAAMAPTALOX15
SCHEMBL24067975 0.85 CA1 (0.57) ALDH1A1KDM4EGAAMAPTALOX15
SCHEMBL30301311 0.81 MAPT (0.61) FFAR1ALDH1A1KDM4EGAAMAPT
SCHEMBL22298750 0.81 KIF11 (0.61) FFAR1ALDH1A1ADRA2ACACNA1BPTGDR2
SCHEMBL11936090 0.81 FFAR1 (0.59) FFAR1CACNA1B
SCHEMBL29868285 0.81 MAPT (0.61) FFAR1ALDH1A1KDM4EGAAMAPT
SCHEMBL855119 0.81 KDM4E (0.56) ALDH1A1KDM4EGAAMAPTALOX15
SCHEMBL856262 0.81 PTGDR2 (0.41) FFAR1ALDH1A1KDM4EGAAMAPT
SCHEMBL854733 0.81 CACNA1H (0.49) ALDH1A1KDM4EGAAMAPTALOX15

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP 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-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-1758865-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2007-03-07 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US 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
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP 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-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide C5AR2, C5AR1, C3AR1 FFAR1 187/4885ALDH1A1 1841/4885KDM4E 2799/4885
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 FFAR1 138/4885ALDH1A1 2416/4885KDM4E 4450/4885
US-20090023774-A1 Pyridine analogs as C5A antagonists C5AR1, C3AR1, C5AR2 FFAR1 149/4885ALDH1A1 1812/4885KDM4E 2851/4885

“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.