SCHEMBL3340934

SCHEMBL3340934

COC(=O)C(NC(=O)OCc1ccccc1)C(Sc1ccccc1N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
OPRK1 P41145 1/20 0.42
PPARG P37231 1/20 0.40
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SPPL2A Q8TCT8 1/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39

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
SCHEMBL3340939 1.00 TRPM8 (0.42) TRPM8OPRK1PPARGCYP2C9CYP2C19
SCHEMBL3345238 0.90 TP53 (0.47) TRPM8PPARGCYP2C9CYP2C19CYP1A2
SCHEMBL3345241 0.90 TP53 (0.47) TRPM8PPARGCYP2C9CYP2C19CYP1A2
SCHEMBL3344761 0.89 PPARG (0.44) TRPM8OPRK1PPARGCYP2C9CYP2C19
SCHEMBL3344764 0.89 PPARG (0.44) TRPM8OPRK1PPARGCYP2C9CYP2C19
SCHEMBL3343179 0.88 TRPM8 (0.48) TRPM8PPARGCYP2C9CYP2C19CYP1A2
SCHEMBL3343181 0.88 TRPM8 (0.48) TRPM8PPARGCYP2C9CYP2C19CYP1A2
SCHEMBL3343158 0.87 TRPM8 (0.45) TRPM8CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3343159 0.87 TRPM8 (0.45) TRPM8CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3343120 0.86 TRPM8 (0.44) TRPM8OPRK1CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 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 (4 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B TRPM8 4397/4885OPRK1 3312/4885PPARG 3654/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 TRPM8 848/4885OPRK1 920/4885PPARG 292/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TRPM8 4284/4885OPRK1 3189/4885PPARG 3478/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TRPM8 369/4885OPRK1 3519/4885PPARG 1147/4885

“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.