SCHEMBL1864932

SCHEMBL1864932

CC(NC(=O)O)[C@H](CC1CCCCC1)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.44
ATM Q13315 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY5R Q15761 1/20 0.39
CACNA1B Q00975 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
SCHEMBL23022839 0.84 ATM (0.47) RENATMHTR2CSLC6A4ALDH1A1
SCHEMBL23005035 0.79 ATM (0.45) RENATMHTR2CSLC6A4ALDH1A1
SCHEMBL1864929 0.77 REN (0.53) RENCTSSCTSKCACNA1B
SCHEMBL3817673 0.75 JAK2 (0.44) ATMALDH1A1LMNAPOLBHSD17B10
SCHEMBL25852154 0.72 KMT2A (0.59) ATMALDH1A1LMNAPOLBHSD17B10
SCHEMBL3822993 0.72 REN (0.44) RENATMCTSL
SCHEMBL3915529 0.72 BCHE (0.42) RENATMHTR2CSLC6A4
SCHEMBL7320870 0.71 MEN1 (0.50) CTSLCTSBCTSSALDH1A1LMNA
SCHEMBL7452146 0.71 MEN1 (0.48) ATMCTSLCTSBCTSSALDH1A1
SCHEMBL30278336 0.71 NPY5R (0.41) RENATMHTR2CSLC6A4L3MBTL1

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-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE REN 298/4885ATM 2336/4885CTSL 82/4885

“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.