SCHEMBL3385998

SCHEMBL3385998

CCC(N)N(Cc1ccccc1OC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 7/20 0.45
BCHE P06276 6/20 0.45
TAS2R14 Q9NYV8 2/20 0.44
SLC1A5 Q15758 1/20 0.44
TSPO P30536 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL5391303 0.85 BCHE (0.45) ALDH1A1HTTL3MBTL1ACHEBCHE
SCHEMBL3382241 0.81 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5403330 0.79 MEN1 (0.53) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8933614 0.75 MEN1 (0.51) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL6270222 0.74 MEN1 (0.44) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL15118580 0.72 MEN1 (0.61) MEN1KMT2ACRHBPCRHR2ALDH1A1
Bicarbonate SCHEMBL27683066 0.71 MTNR1A (0.54) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL21306338 0.71 MEN1 (0.56) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL1845830 0.71 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL9781306 0.70 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP MEN1 2356/4885KMT2A 4650/4885CRHBP 2384/4885

“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.