Sugi Predict

Sugi Predict / Compounds / SCHEMBL3351451

SCHEMBL3351451

SCHEMBL3351451

CCCN(CCC)C(=O)c1cccc(C(N)=O)c1[C@H](Cc1ccccc1)[C@@H](O)CN[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.39
▸ METAP1 P53582 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ BACE1 P56817 3/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 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
SCHEMBL3350915 1.00 METAP2 (0.39) METAP2METAP1AURKARPS6KB1AURKB
SCHEMBL3349312 0.88 BCHE (0.49) BACE1CTSDTP53BCHE
SCHEMBL3353974 0.88 BCHE (0.49) BACE1CTSDTP53BCHE
SCHEMBL3349674 0.88 BCHE (0.49) BACE1CTSDTP53BCHE
SCHEMBL3350518 0.84 BACE1 (0.41) BACE1OPRM1CTSDTP53BCHE
SCHEMBL3352525 0.84 BACE1 (0.41) BACE1OPRM1CTSDTP53BCHE
SCHEMBL3353775 0.82 BACE1 (0.41) AURKARPS6KB1BACE1CTSDTP53
SCHEMBL3352667 0.82 BACE1 (0.44) BACE1CTSDTP53
SCHEMBL3352770 0.81 BACE1 (0.40) AURKARPS6KB1BACE1CTSDTP53
SCHEMBL3351567 0.81 BACE1 (0.40) AURKARPS6KB1BACE1CTSDTP53

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-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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — 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 METAP2 1100/4885METAP1 489/4885AURKA 3928/4885

“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.