Sugi Predict

Sugi Predict / Compounds / SCHEMBL3350783

SCHEMBL3350783

SCHEMBL3350783

CCCN(CCC)c1nc(C)cc(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.42
▸ MAPT P10636 2/20 0.38
▸ RXRA P19793 1/20 0.38
▸ CRHR1 P34998 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL1179427 0.94 HCRTR1 (0.43) HCAR3RXRACRHR1SMN1; SMN2ALDH1A1
SCHEMBL1180064 0.87 KDM4E (0.48) MAPTCRHR1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL1180561 0.86 HCRTR1 (0.43) HCAR3HCRTR1HCRTR2
SCHEMBL3350110 0.83 MAPT (0.41) MAPTCRHR1SMN1; SMN2ALDH1A1RBP4
SCHEMBL1179543 0.79 HCRTR1 (0.41) SMN1; SMN2ALDH1A1MAPK1GPR35RBP4
SCHEMBL27625567 0.78 CRHR1 (0.37) HCAR3MAPTRXRACRHR1SMN1; SMN2
SCHEMBL1179404 0.78 HPGD (0.43) SMN1; SMN2ALDH1A1MAPK1GPR35RBP4
SCHEMBL1178978 0.75 ALDH1A1 (0.39) HCAR3SMN1; SMN2ALDH1A1MAPK1GPR35
SCHEMBL1178935 0.75 HCRTR1 (0.44) CRHR1SMN1; SMN2ALDH1A1MAPK1GPR35
SCHEMBL27625566 0.74 TDP1 (0.47) HCAR3MAPTCRHR1SMN1; SMN2ALDH1A1

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 13 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-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
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
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
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
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 — — CN disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 — — EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 — — WO 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 (2 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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 HCAR3 819/4885MAPT 675/4885RXRA 1792/4885
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 HCAR3 2015/4885MAPT 159/4885RXRA 1579/4885

“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.