SCHEMBL474172

SCHEMBL474172

CC(C)(C)OC(=O)N1CCC(=C(Br)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GPR119 Q8TDV5 10/20 0.43
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1473518 0.90 KDM4E (0.51) KMT2AMEN1GPR119ESR2NR1H2
SCHEMBL14154600 0.89 GPR119 (0.55) KMT2AMEN1GPR119ESR2NR1H2
SCHEMBL31705318 0.88 KMT2A (0.47) KMT2AMEN1GPR119ESR2NR1H2
SCHEMBL14338856 0.87 NR1H2 (0.45) KMT2AMEN1GPR119ESR2NR1H2
SCHEMBL4929719 0.86 KMT2A (0.62) KMT2AMEN1GPR119KDM4ESMN1; SMN2
SCHEMBL19598956 0.86 GPR119 (0.52) GPR119
SCHEMBL4929304 0.85 KMT2A (0.60) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL14720577 0.84 ATM (0.49) KMT2AMEN1GPR119ESR2LMNA
SCHEMBL1602493 0.84 GPR119 (0.50) GPR119
SCHEMBL4931097 0.83 SMN1; SMN2 (0.55) KMT2AMEN1GPR119KDM4EUSP2

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 89 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
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
US-20170327491-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES AND THEIR USE AS DELTA OPOID RECEPTOR AGNISTS PHARMNOVO AB (SE) 2017-11-16 US disclosed
US-20170327491-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES AND THEIR USE AS DELTA OPOID RECEPTOR AGNISTS PHARMNOVO AB (SE) 2017-11-16 US disclosed
WO-2016099394-A1 NOVEL SELECTIVE DELTA-OPIOID RECEPTOR AGONISTS USEFUL FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. PHARMNOVO AB (SE) 2016-06-23 WO 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-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2011-04-07 US disclosed
US-20030149023-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2003-08-07 US disclosed
EP-1286986-A1 QUINOLINYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-03-05 EP disclosed
WO-2002094810-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO disclosed
US-6455545-B2 GASTROINTESTINAL DISORDERS ASTRAZENECA CANADA INC. (CA) 2002-09-24 US disclosed
WO-2001074806-A1 QUINOLINYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-10-11 WO disclosed
US-20010021715-A1 Novel compounds with analgesic effect ASTRA PHARMA INC. 2001-09-13 US disclosed
US-6187792-B1 PIPERIDIN-4-METHYLIDENE-4-BENZAMIDE DERIVATIVES; OPOID RECEPTOR ANTAGONISTS; CANCER PAIN ASTRA PHARMA INC. (CA) 2001-02-13 US 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 (6 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-20170327491-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES AND THEIR USE AS DELTA OPOID RECEPTOR AGNISTS OPRD1, OPRM1, OPRK1 KMT2A 3532/4885MEN1 4860/4885GPR119 371/4885
US-20010021715-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 KMT2A 4601/4885MEN1 4421/4885GPR119 648/4885
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 KMT2A 63/4885MEN1 2216/4885GPR119 2827/4885
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 KMT2A 63/4885MEN1 2216/4885GPR119 2827/4885
US-20030149023-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 KMT2A 4601/4885MEN1 4421/4885GPR119 648/4885
US-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF OPRM1, OPRD1, QDPR KMT2A 1165/4885MEN1 2455/4885GPR119 489/4885

“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.