SCHEMBL3383371

SCHEMBL3383371

CCC(c1ccccc1)C(N)(CC)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
RIPK1 Q13546 1/20 0.40
MMP8 P22894 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3382222 0.82 MEN1 (0.41) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL3386006 0.78 TSHR (0.42) LMNAKMT2AALDH1A1RIPK1MMP8
Bromide SCHEMBL6520617 0.75 LMNA (0.42) LMNAPOLB
Water SCHEMBL9711077 0.75 LMNA (0.42) LMNAPOLB
SCHEMBL5391314 0.75 MMP8 (0.38) LMNAPOLBMEN1KMT2ARIPK1
SCHEMBL5425825 0.75 LMNA (0.42) LMNAPOLBMEN1KMT2ARIPK1
SCHEMBL5916381 0.73 LMNA (0.44) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL7564248 0.71 LMNA (0.45) LMNARIPK1
SCHEMBL27104883 0.71 LMNA (0.45) LMNARIPK1
SCHEMBL6270815 0.71 LMNA (0.50) LMNAPOLBMEN1KMT2ARIPK1

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 2 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

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 LMNA 479/4885POLB 2249/4885MEN1 2356/4885

“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.