SCHEMBL534424

SCHEMBL534424

CC1(C)OB(c2ccccc2CCNC(=O)OCc2ccccc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47
IDO1 P14902 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.44
TGM2 P21980 1/20 0.43
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
KAT2B Q92831 1/20 0.41
TDO2 P48775 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
KCNA5 P22460 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14934886 0.84 EPHX1 (0.46) LMNASMN1; SMN2L3MBTL1MAPTKEAP1
SCHEMBL3670995 0.83 CXCR2 (0.44)
SCHEMBL29707332 0.83 CA2 (0.52) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL29707329 0.83 CA2 (0.52) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL29793803 0.81 NQO2 (0.48) LMNAHTTIDO1MEN1KMT2A
SCHEMBL1345918 0.81 NQO2 (0.48) LMNAHTTIDO1MEN1KMT2A
SCHEMBL13904168 0.79 L3MBTL1 (0.58) LMNASMN1; SMN2HTTIDO1L3MBTL1
SCHEMBL30543686 0.78 HTT (0.51) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL25230696 0.76 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL29799702 0.76 PTGDR2 (0.40) LMNAL3MBTL1MAPTTGM2MEN1

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2011057382-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-05-19 WO disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 LMNA 1880/4885SMN1; SMN2 4604/4885HTT 4056/4885

“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.