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SCHEMBL3355024

SCHEMBL3355024

CCCN(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccco1)[C@@H](O)CNCCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.51
▸ CTSD P07339 9/20 0.51
▸ PER2 O15055 3/20 0.35
▸ CRY1 Q16526 2/20 0.35
▸ CRY2 Q49AN0 2/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL3355018 1.00 BACE1 (0.51) BACE1CTSDPER2CRY1CRY2
SCHEMBL3349855 0.86 BACE1 (0.66) BACE1CTSDPOLB
SCHEMBL3349860 0.86 BACE1 (0.66) BACE1CTSDPOLB
SCHEMBL3356382 0.84 BACE1 (0.51) BACE1CTSDCCR2RAB9AALDH1A1
SCHEMBL3356387 0.84 BACE1 (0.51) BACE1CTSDCCR2RAB9AALDH1A1
SCHEMBL5377485 0.83 BACE1 (0.37) BACE1CTSDCCR2NPC1RAB9A
SCHEMBL3352651 0.83 BACE1 (0.57) BACE1CTSDCCR2POLB
SCHEMBL3348897 0.83 BACE1 (0.57) BACE1CTSDCCR2POLB
SCHEMBL3351653 0.83 BACE1 (0.57) BACE1CTSDPOLB
SCHEMBL3351658 0.83 BACE1 (0.57) BACE1CTSDPOLB

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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US claimed
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 (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 BACE1 1/4885CTSD 249/4885PER2 1509/4885
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 BACE1 1/4885CTSD 96/4885PER2 1678/4885

“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.