SCHEMBL14169941

SCHEMBL14169941

CNC1Cc2ccccc2C(C)(C)N(Cc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ SIGMAR1 Q99720 8/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ XIAP P98170 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ HTR2A P28223 1/20 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
SCHEMBL14170085 0.86 ADRA2A (0.37) ADRA2AHTR2A
SCHEMBL14170089 0.79 ADRA2A (0.42) ALDH1A1SIGMAR1ADRA2AHTR2A
SCHEMBL14169947 0.78 SLC6A2 (0.37) ALDH1A1SIGMAR1SMN1; SMN2GAAADRA2A
SCHEMBL14170143 0.75 ADRA2A (0.37) ADRA2AHTR2A
SCHEMBL14169899 0.74 FNTA (0.50) —
SCHEMBL14170083 0.73 KCNH2 (0.35) ALDH1A1ADRA2AHTR2A
SCHEMBL14172003 0.72 ACE (0.52) ALDH1A1SMN1; SMN2GAA
SCHEMBL14170253 0.71 CACNA1G (0.43) ALDH1A1SIGMAR1SMN1; SMN2ADRA2AHTR2A
SCHEMBL14170087 0.69 CYP3A4 (0.38) ADRA2AHTR2A
SCHEMBL8276173 0.68 MEN1 (0.53) ALDH1A1SMN1; SMN2XIAPADRA2AHTR2A

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 ALDH1A1 2775/4885SIGMAR1 4685/4885TMEM97 2829/4885

“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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