SCHEMBL14170244

SCHEMBL14170244

CNC1C(=O)N(Cc2ccccc2)C(C)Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.41
▸ CACNA1G O43497 2/20 0.41
▸ CACNA1H O95180 2/20 0.41
▸ CACNA1I Q9P0X4 2/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 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
SCHEMBL14169895 0.85 PRCP (0.40) SIGMAR1GAAMAPK1LMNAALDH1A1
SCHEMBL14169892 0.77 SIGMAR1 (0.38) SIGMAR1LMNAMEN1KMT2A
SCHEMBL14170253 0.77 CACNA1G (0.43) SIGMAR1CACNA1GCACNA1HCACNA1IEHMT2
SCHEMBL14170111 0.77 BRD4 (0.38) SIGMAR1
SCHEMBL14170046 0.76 GRIN1 (0.46) SIGMAR1CACNA1GCACNA1HCACNA1I
SCHEMBL14169894 0.75 XIAP (0.38) SIGMAR1LMNAALDH1A1KMT2ATSHR
SCHEMBL14170247 0.75 XIAP (0.38) SIGMAR1ALDH1A1
SCHEMBL14169897 0.74 OPRM1 (0.40) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL14170246 0.73 ALDH1A1 (0.41) GAAMAPK1LMNAALDH1A1MEN1
SCHEMBL14169891 0.72 HPGD (0.43) CACNA1GCACNA1HCACNA1IALOX12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 — — US disclosed
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 — — US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 — — US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 — — 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 (1 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-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one APP, BACE1, PSEN1 SIGMAR1 4685/4885CACNA1G 1962/4885CACNA1H 1957/4885

“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.

Send feedback