SCHEMBL6349082

SCHEMBL6349082

COCCN(C)C(=O)C[C@@H](CCc1ccccc1)C(=O)CCNC(=O)[C@@H](C)N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
APLNR P35414 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP8 P22894 2/20 0.36
TSHR P16473 1/20 0.35
LAP3 P28838 2/20 0.35
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7322599 0.80 MMP1 (0.39) KDM4ELMNAKMT2ATSHRALDH1A1
SCHEMBL5709641 0.79 LTB4R (0.41) KMT2ALAP3ANPEP
SCHEMBL5709642 0.76 MMP1 (0.38) KDM4ELMNACHRNB2CHRNB4CHRNA3
SCHEMBL7322606 0.76 CTSS (0.40) MMP8
SCHEMBL5709644 0.73 CTSS (0.35)
SCHEMBL7320338 0.70 MMP12 (0.44)
SCHEMBL7436937 0.70 MME (0.41) KDM4ELAP3ANPEPRNPEPDNPEP
SCHEMBL7433358 0.70 CPA1 (0.53) ANPEPRNPEPDNPEP
SCHEMBL6190815 0.69 KMT2A (0.61) CYP2D6CYP2C9CYP2C19KMT2ATSHR
SCHEMBL7437248 0.69 KMT2A (0.61) CYP2D6CYP2C9CYP2C19KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease SCHOSTAREZ HEINRICH J (US) 2005-04-14 US claimed

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-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease BACE1, BACE2, APP KDM4E 3056/4885LMNA 1925/4885L3MBTL1 3094/4885

“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.