SCHEMBL474169

SCHEMBL474169

CN(CCO)C(=O)c1ccc(C(=C2CCNCC2)c2cccc3cccnc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.65
OPRM1 P35372 19/20 0.65
OPRK1 P41145 5/20 0.51
KCNH2 Q12809 2/20 0.47
ABCB11 O95342 1/20 0.40

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
SCHEMBL12432542 0.87 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2
SCHEMBL12432534 0.87 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL474620 0.86 OPRD1 (0.70) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4922241 0.85 OPRD1 (0.70) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5780666 0.83 OPRD1 (0.51) OPRD1OPRM1OPRK1KCNH2
SCHEMBL474192 0.81 OPRM1 (0.64) OPRD1OPRM1
SCHEMBL14228324 0.80 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2
SCHEMBL474252 0.80 OPRM1 (0.62) OPRD1OPRM1OPRK1KCNH2
Azd-7268 SCHEMBL30248100 0.79 OPRD1 (1.00) OPRD1OPRM1KCNH2
Azd-7268 SCHEMBL474151 0.79 OPRD1 (1.00) OPRD1OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079735-B1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. ASTRAZENECA AB (SE) 2012-02-01 EP claimed
JP-4668346-B2 2011-04-13 JP claimed
US-20100160374-A1 N-(2-Hydroxyethyl)-N-Methyl-4-(Quinolin-8-yl(1-(Thiazol-4-ylmethyl)Piperidin-4-ylidene)Methyl)Benzamide ASTRAZENECA AB (SE) 2010-06-24 US claimed
JP-2010506910-A 2010-03-04 JP claimed
US-7659286-B2 N-(2-hydroxyethyl)-N-methyl-4-(quinolin-8-yl(1-(thiazol-4-ylmethyl)piperidin-4-ylidene)methyl)benzamide ASTRAZENECA AB (SE) 2010-02-09 US claimed
EP-2079735-A1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. AstraZeneca AB (SE) 2009-07-22 EP claimed
US-20080182875-A1 N-(2-Hydroxyethyl)-N-Methyl-4-(Quinolin-8-yl(1-(Thiazol-4-ylmethyl)Piperidin-4-ylidene)Methyl)Benzamide ASTRAZENECA AB (SE) 2008-07-31 US claimed
WO-2008048171-A1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. ASTRAZENECA AB (SE) 2008-04-24 WO claimed
EP-2079735-B1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. ASTRAZENECA AB (SE) 2012-02-01 EP disclosed
EP-2079735-B1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. ASTRAZENECA AB (SE) 2012-02-01 EP disclosed
US-7977355-B2 N-(2-hydroxyethyl)-N-methyl-4-(quinolin-8-yl(1-(thiazol-4-ylmethyl)piperidin-4-ylidene)methyl ASTRAZENECA AB (SE) 2011-07-12 US disclosed
US-7977355-B2 N-(2-hydroxyethyl)-N-methyl-4-(quinolin-8-yl(1-(thiazol-4-ylmethyl)piperidin-4-ylidene)methyl ASTRAZENECA AB (SE) 2011-07-12 US disclosed
US-7977355-B2 N-(2-hydroxyethyl)-N-methyl-4-(quinolin-8-yl(1-(thiazol-4-ylmethyl)piperidin-4-ylidene)methyl ASTRAZENECA AB (SE) 2011-07-12 US disclosed
US-20100160374-A1 N-(2-Hydroxyethyl)-N-Methyl-4-(Quinolin-8-yl(1-(Thiazol-4-ylmethyl)Piperidin-4-ylidene)Methyl)Benzamide ASTRAZENECA AB (SE) 2010-06-24 US disclosed
EP-2079735-A1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. AstraZeneca AB (SE) 2009-07-22 EP disclosed
US-20080182875-A1 N-(2-Hydroxyethyl)-N-Methyl-4-(Quinolin-8-yl(1-(Thiazol-4-ylmethyl)Piperidin-4-ylidene)Methyl)Benzamide ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080182875-A1 N-(2-Hydroxyethyl)-N-Methyl-4-(Quinolin-8-yl(1-(Thiazol-4-ylmethyl)Piperidin-4-ylidene)Methyl)Benzamide ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080182875-A1 N-(2-Hydroxyethyl)-N-Methyl-4-(Quinolin-8-yl(1-(Thiazol-4-ylmethyl)Piperidin-4-ylidene)Methyl)Benzamide ASTRAZENECA AB (SE) 2008-07-31 US disclosed
WO-2008048171-A1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. ASTRAZENECA AB (SE) 2008-04-24 WO disclosed
WO-2008048171-A1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. ASTRAZENECA AB (SE) 2008-04-24 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-20080182875-A1 N-(2-Hydroxyethyl)-N-Methyl-4-(Quinolin-8-yl(1-(Thiazol-4-ylmethyl)Piperidin-4-ylidene)Methyl)Benzamide H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2C8, UGT1A8 OPRD1 445/4885OPRM1 120/4885OPRK1 417/4885
US-20100160374-A1 N-(2-Hydroxyethyl)-N-Methyl-4-(Quinolin-8-yl(1-(Thiazol-4-ylmethyl)Piperidin-4-ylidene)Methyl)Benzamide H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2C8, UGT1A8 OPRD1 445/4885OPRM1 120/4885OPRK1 417/4885

“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.