SCHEMBL474139

SCHEMBL474139

O=C(O)c1ccc(C(Br)=C2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
OPRD1 P41143 7/20 0.43
OPRM1 P35372 5/20 0.43
OPRK1 P41145 3/20 0.43
SRD5A2 P31213 2/20 0.40
CA1 P00915 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 1/20 0.39
TYR P14679 1/20 0.39
DRD1 P21728 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL12751281 0.82 OPRD1 (0.46) TSHROPRD1OPRM1OPRK1ALDH1A1
Hydrochloric Acid SCHEMBL1473502 0.81 OPRD1 (0.45) TSHROPRD1OPRM1OPRK1ALDH1A1
SCHEMBL5726906 0.77 OPRD1 (0.68) OPRD1OPRM1OPRK1
SCHEMBL14720479 0.76 CA1 (0.50) TP53OPRD1OPRM1OPRK1CA1
SCHEMBL12432540 0.75 SETD7 (0.47) TSHRTP53OPRD1SRD5A2CA1
SCHEMBL4237880 0.74 OPRD1 (0.41) TSHRTP53OPRD1OPRM1OPRK1
Terephthalic Acid SCHEMBL31729036 0.73 TSHR (0.60) TSHRTP53OPRD1SRD5A2CA1
Terephthalic Acid SCHEMBL9063579 0.71 TSHR (0.57) TSHRTP53OPRD1SRD5A2CA1
Terephthalic Acid SCHEMBL28988329 0.71 TSHR (0.57) TSHRTP53OPRD1SRD5A2CA1
Benzoic Acid SCHEMBL28890058 0.71 TSHR (0.74) TSHRTP53OPRD1SRD5A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 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
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
EP-1626959-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004101519-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-11-25 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 TSHR 3316/4885TP53 2265/4885OPRD1 445/4885
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 TSHR 3316/4885TP53 2265/4885OPRD1 445/4885

“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.