SCHEMBL14170089

SCHEMBL14170089

CNC1Cc2ccccc2C(C)(C)N(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL14170143 0.82 ADRA2A (0.37) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14169947 0.82 SLC6A2 (0.37) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14170085 0.82 ADRA2A (0.37) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14170083 0.80 KCNH2 (0.35) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14169941 0.79 ALDH1A1 (0.41) ADRA2AHTR2ASIGMAR1ALDH1A1
SCHEMBL14170087 0.75 CYP3A4 (0.38) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14169913 0.72 ADRA2A (0.46) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL21339127 0.72 ADRA2A (0.67) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL14169961 0.72 ADRA2A (0.37) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL21663220 0.69 HTR2A (0.43) ADRA2AHTR2AHTR2CHRH1HTR2B

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 ADRA2A 859/4885ADRA2B 923/4885ADRA2C 898/4885

“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.

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