SCHEMBL2439786

SCHEMBL2439786

CC(C)(C)OC(=O)NCC(O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.58
ADRB1 P08588 2/20 0.58
CYP2D6 P10635 1/20 0.58
NFKB1 P19838 1/20 0.58
HIF1A Q16665 1/20 0.58
BLM P54132 1/20 0.57
SYK P43405 1/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ATM Q13315 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
AOC3 Q16853 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL256639 0.89 DRD2 (0.46) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL13997815 0.86 ADRB2 (0.49) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL27770720 0.85 SYK (0.44) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL12321493 0.84 SYK (0.46) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL23011458 0.84 SYK (0.44) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL256636 0.84 SYK (0.44) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL4582959 0.83 DRD2 (0.49) ADRB2ADRB1SYKMALT1LMNA
SCHEMBL12438458 0.82 CA12 (0.55) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL29848484 0.82 PTGFR (0.46) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL21609310 0.82 PTGFR (0.46) ADRB2ADRB1CYP2D6NFKB1HIF1A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
CN-103370309-A Substituted N-phenethyltriazoloneacetamides and use thereof BAYER IP GMBH 2013-10-23 CN disclosed
US-8299075-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-12-01 US disclosed
US-8012962-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2011-09-06 US disclosed
US-7812023-B2 Methods of using substituted morpholine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US disclosed
US-20100063033-A1 Methods of using substituted morpholine derivatives H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
EP-1947093-B9 Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2010-03-03 EP disclosed
EP-1947093-B1 Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2009-09-23 EP disclosed
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
US-7501414-B2 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2009-03-10 US disclosed
EP-1727809-B8 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-10-29 EP disclosed
EP-1947093-A1 Substituted morpholine and thiomorpholine derivatives H. Lundbeck A/S (DK) 2008-07-23 EP disclosed
EP-1727809-B1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-06-11 EP disclosed
EP-1727809-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
US-20060167248-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
WO-2005087754-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 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 (8 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX ADRB2 871/4885ADRB1 1289/4885CYP2D6 1640/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX ADRB2 871/4885ADRB1 1289/4885CYP2D6 1640/4885
US-20060167248-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 ADRB2 21/4885ADRB1 32/4885CYP2D6 58/4885
US-20100063033-A1 Methods of using substituted morpholine derivatives OPRM1, TPMT, SIGMAR1 ADRB2 23/4885ADRB1 38/4885CYP2D6 37/4885
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRD1 ADRB2 25/4885ADRB1 41/4885CYP2D6 62/4885
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, TPMT, OPRK1 ADRB2 36/4885ADRB1 45/4885CYP2D6 48/4885
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRL1 ADRB2 18/4885ADRB1 26/4885CYP2D6 56/4885
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 ADRB2 21/4885ADRB1 32/4885CYP2D6 58/4885

“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.