SCHEMBL4176962

SCHEMBL4176962

COc1cccc(CNc2ccc(C(C)C)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.60
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 2/20 0.58
FFAR1 O14842 3/20 0.56
LMNA P02545 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
P2RX7 Q99572 1/20 0.49
CASR P41180 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL2987758 0.85 HIF1A (0.63) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL30373777 0.83 HIF1A (0.76) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL1134085 0.83 HIF1A (0.76) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL13139979 0.82 FFAR1 (0.81) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL25547419 0.82 HIF1A (0.63) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL1844973 0.81 MAPT (0.66) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL24097464 0.81 MAPT (0.68) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL6695006 0.81 MAPT (0.68) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL21035304 0.81 MAPT (0.64) MAPTMEN1KMT2AHIF1AALDH1A1
SCHEMBL19061634 0.80 TAAR1 (0.55) MAPTMEN1KMT2AHIF1AALDH1A1

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-1758865-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2007-03-07 EP 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
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 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 (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 4731/4885MEN1 1989/4885KMT2A 4182/4885
US-20090023774-A1 Pyridine analogs as C5A antagonists C5AR1, C3AR1, C5AR2 MAPT 4620/4885MEN1 904/4885KMT2A 4524/4885

“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.