SCHEMBL3349124

SCHEMBL3349124

CCCCOCCCNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.54
REN P00797 2/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 3/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
F2 P00734 2/20 0.40
BCHE P06276 2/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
LTA4H P09960 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL6891598 1.00 CSNK1E (0.54) CSNK1ERENALDH1A1HPGDSMN1; SMN2
SCHEMBL3355145 0.90 CSNK1E (0.62) CSNK1ERENF2BCHEANPEP
SCHEMBL6890116 0.90 CSNK1E (0.62) CSNK1ERENF2BCHEANPEP
SCHEMBL5226010 0.88 CSNK1E (0.65) CSNK1ERENSMN1; SMN2MEN1RAB9A
Hydrochloric Acid SCHEMBL5218980 0.88 CSNK1E (0.61) CSNK1ERENF2BCHEANPEP
SCHEMBL3347304 0.87 CSNK1E (0.50) CSNK1ERENKDM4EF2BCHE
SCHEMBL6890895 0.87 CSNK1E (0.50) CSNK1ERENKDM4EF2BCHE
SCHEMBL3355926 0.86 CSNK1E (0.48) CSNK1ERENALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5219096 0.86 CSNK1E (0.66) CSNK1ERENF2BCHEANPEP
SCHEMBL5930069 0.84 CSNK1E (0.57) CSNK1ERENF2BCHEANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 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-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 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 (3 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP CSNK1E 2024/4885REN 2263/4885ALDH1A1 391/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CSNK1E 1817/4885REN 2122/4885ALDH1A1 524/4885
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 CSNK1E 683/4885REN 669/4885ALDH1A1 2133/4885

“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.