SCHEMBL14169906

SCHEMBL14169906

CNC1Cc2ccccc2CN(c2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ FNTA P49354 5/20 0.44
▸ FNTB P49356 5/20 0.44
▸ SLC6A2 P23975 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MME P08473 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
SCHEMBL7695914 0.84 ACE (0.45) RAB9ANPC1FNTAFNTBTSHR
SCHEMBL14169913 0.80 ADRA2A (0.46) RAB9ASLC6A2TSHRADRA2AADRA2B
SCHEMBL21339128 0.79 ADRA2A (0.40) RAB9ASLC6A2TSHRADRA2AADRA2B
SCHEMBL14169922 0.76 RAB9A (0.41) RAB9ASLC6A2TSHRADRA2AADRA2B
SCHEMBL14169908 0.76 ACE (0.43) FNTAFNTBSLC6A2ADRA2AADRA2B
SCHEMBL14169899 0.75 FNTA (0.50) FNTAFNTBTSHRKCNH2MME
SCHEMBL14169919 0.74 ALDH1A1 (0.39) RAB9ANPC1SLC6A2TSHRADRA2A
SCHEMBL14169943 0.72 SLC6A2 (0.43) SLC6A2ADRA2AADRA2BADRA2CHTR2A
SCHEMBL14169920 0.72 TSHR (0.44) RAB9ANPC1SLC6A2TSHRSLC6A4
SCHEMBL14169931 0.71 NPC1 (0.41) RAB9ANPC1SLC6A2TSHRLMNA

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 RAB9A 1064/4885NPC1 242/4885FNTA 988/4885

“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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