SCHEMBL14170253

SCHEMBL14170253

CNC1Cc2ccccc2C(C)N(Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 4/20 0.43
▸ CACNA1H O95180 4/20 0.43
▸ CACNA1I Q9P0X4 4/20 0.43
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.40
▸ SMO Q99835 2/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL14169924 0.85 SLC6A2 (0.43) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14170136 0.78 ADRA2A (0.50) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14169943 0.77 SLC6A2 (0.43) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14170244 0.77 SIGMAR1 (0.41) CACNA1GCACNA1HCACNA1ISIGMAR1EHMT2
SCHEMBL14169932 0.75 ADRA2A (0.43) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14169899 0.75 FNTA (0.50) CACNA1GCACNA1HCACNA1IKCNH2
SCHEMBL14170126 0.73 ADRA2A (0.42) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14171829 0.72 ACE (0.50) EHMT2SMOALDH1A1
SCHEMBL14169941 0.71 ALDH1A1 (0.41) ADRA2AHTR2ASIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL14171892 0.70 CHRM2 (0.43) EHMT2HCRTR1HCRTR2ALDH1A1

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 CACNA1G 1962/4885CACNA1H 1957/4885CACNA1I 2327/4885

“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