SCHEMBL3342679

SCHEMBL3342679

COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Sc1ccccc1N)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.44
CYP3A4 P08684 6/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
CASP1 P29466 1/20 0.41
CTSL P07711 4/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 3/20 0.40
CTSK P43235 2/20 0.40
PPARG P37231 1/20 0.39
ALOX15 P16050 1/20 0.39
CA1 P00915 1/20 0.39
KYNU Q16719 1/20 0.39
ATM Q13315 1/20 0.39
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
POLB P06746 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
SCHEMBL3550564 1.00 TRPM8 (0.44) TRPM8CYP3A4ALDH1A1TSHRCASP1
SCHEMBL5225794 0.92 CTSL (0.39) CYP3A4ALDH1A1TSHRCASP1CTSL
SCHEMBL3343122 0.91 TRPM8 (0.44) TRPM8CYP3A4ALDH1A1TSHRCTSL
SCHEMBL3343120 0.91 TRPM8 (0.44) TRPM8CYP3A4ALDH1A1TSHRCTSL
SCHEMBL3343181 0.90 TRPM8 (0.48) TRPM8CYP3A4ALDH1A1TSHRCASP1
SCHEMBL3343179 0.90 TRPM8 (0.48) TRPM8CYP3A4ALDH1A1TSHRCASP1
SCHEMBL3343158 0.86 TRPM8 (0.45) TRPM8CYP3A4ALDH1A1TSHRCTSL
SCHEMBL3343159 0.86 TRPM8 (0.45) TRPM8CYP3A4ALDH1A1TSHRCTSL
SCHEMBL3349418 0.86 TRPM8 (0.42) TRPM8ALDH1A1CTSLCTSSCTSB
SCHEMBL3349421 0.86 TRPM8 (0.42) TRPM8ALDH1A1CTSLCTSSCTSB

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 4397/4885CYP3A4 1299/4885ALDH1A1 2343/4885
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 848/4885CYP3A4 988/4885ALDH1A1 1630/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TRPM8 4284/4885CYP3A4 1501/4885ALDH1A1 2328/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TRPM8 369/4885CYP3A4 1854/4885ALDH1A1 1230/4885

“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.