SCHEMBL3352726

SCHEMBL3352726

CCC(NC(=O)O)N[C@H](CC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
EPHX2 P34913 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ASPH Q12797 1/20 0.46
KDM8 Q8N371 1/20 0.46
KCNA5 P22460 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RIPK1 Q13546 1/20 0.45
TACR3 P29371 5/20 0.45
TACR2 P21452 3/20 0.45
SLC6A9 P48067 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL2022347 0.85 ALDH1A1 (0.63) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL3376152 0.85 ALDH1A1 (0.63) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL3370482 0.85 ALDH1A1 (0.63) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL15093820 0.78 EPHX2 (0.65) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL2433388 0.77 MMP1 (0.33) LMNAALDH1A1KDM4ETSHRMEN1
SCHEMBL2847032 0.77 LMNA (0.52) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL186416 0.77 LMNA (0.61) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL186230 0.77 LMNA (0.61) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL186238 0.77 LMNA (0.61) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL29145674 0.76 LMNA (0.56) LMNAALDH1A1KDM4ETSHRHPGD

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-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT LMNA 2675/4885ALDH1A1 524/4885KDM4E 1983/4885
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 LMNA 479/4885ALDH1A1 2133/4885KDM4E 4082/4885

“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.