SCHEMBL3346832

SCHEMBL3346832

COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Sc1ccc(Cl)cc1N)c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
OPRK1 P41145 4/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TP53 P04637 1/20 0.38
CCR1 P32246 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 1/20 0.37
PTPN7 P35236 1/20 0.37
OPRD1 P41143 1/20 0.37
HTT P42858 1/20 0.37
PPARA Q07869 2/20 0.37
CTSK P43235 2/20 0.37

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
SCHEMBL3346830 1.00 TRPM8 (0.39) TRPM8OPRK1PSEN1PSEN2APH1B
SCHEMBL3349418 0.91 TRPM8 (0.42) TRPM8OPRK1CTSKCTSLCTSB
SCHEMBL3349421 0.91 TRPM8 (0.42) TRPM8OPRK1CTSKCTSLCTSB
SCHEMBL3340897 0.87 TRPM8 (0.44) TRPM8OPRK1TP53CCR1MEN1
SCHEMBL3340893 0.87 TRPM8 (0.44) TRPM8OPRK1TP53CCR1MEN1
SCHEMBL3342971 0.82 TRPM8 (0.44) TRPM8MEN1KMT2ALMNACTSK
SCHEMBL3342976 0.82 TRPM8 (0.44) TRPM8MEN1KMT2ALMNACTSK
SCHEMBL3344901 0.80 TRPM8 (0.44) TRPM8OPRK1MEN1KMT2ALMNA
SCHEMBL3344904 0.80 TRPM8 (0.44) TRPM8OPRK1MEN1KMT2ALMNA
SCHEMBL3345241 0.78 TP53 (0.47) TRPM8TP53CCR1MEN1KMT2A

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 7 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
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
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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 (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 3312/4885PSEN1 6/4885
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 920/4885PSEN1 3/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TRPM8 4284/4885OPRK1 3189/4885PSEN1 6/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TRPM8 369/4885OPRK1 3519/4885PSEN1 157/4885

“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.