SCHEMBL5117329

SCHEMBL5117329

CCc1cccc(CN(C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)C(=O)c2cc3cc(O)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
MC3R P41968 2/20 0.46
ATM Q13315 1/20 0.42
FLT3 P36888 4/20 0.39
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 3/20 0.37
PYGL P06737 2/20 0.37
CTSD P07339 2/20 0.36
BACE1 P56817 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL5117463 0.80 BACE1 (0.38) MEN1KMT2ACTSDBACE1
SCHEMBL5129470 0.80 BACE1 (0.39) CTSDBACE1
SCHEMBL5127657 0.79 BACE1 (0.37) KMT2ACTSDBACE1
SCHEMBL5124821 0.79 BACE1 (0.39) CTSDBACE1
SCHEMBL5579820 0.78 BACE1 (0.41) MEN1KMT2ACTSDBACE1
SCHEMBL5124857 0.78 KMT2A (0.37) MEN1KMT2ACTSDBACE1CLK1
SCHEMBL5125624 0.77 BACE1 (0.38) CTSDBACE1
SCHEMBL5124838 0.77 BACE1 (0.37) KMT2ACTSDBACE1
SCHEMBL5124834 0.77 BACE1 (0.39) MEN1KMT2ACTSDBACE1
SCHEMBL5127742 0.76 BACE1 (0.41) CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 US claimed
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US disclosed
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 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-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 MC4R 3984/4885MC5R 4348/4885MC3R 3947/4885

“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.