SCHEMBL3336585

SCHEMBL3336585

C[C@H](CN(C)C(=O)O)[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
ADRB2 P07550 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
SCHEMBL3336584 1.00 AOC3 (0.45) AOC3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL3337325 1.00 AOC3 (0.45) AOC3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL4822741 1.00 AOC3 (0.45) AOC3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL16680070 0.84 MEN1 (0.47) AOC3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL499618 0.82 AOC3 (0.42) AOC3SLC6A2SLC6A4TSHRRECQL
SCHEMBL499093 0.82 AOC3 (0.42) AOC3SLC6A2SLC6A4TSHRRECQL
SCHEMBL16680515 0.80 GBA1 (0.53) AOC3MEN1KMT2ASLC6A2SLC6A4
Oxalic Acid SCHEMBL27380050 0.74 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDTRPM8
SCHEMBL499094 0.73 TRPM8 (0.39) AOC3SLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL499619 0.73 TRPM8 (0.39) AOC3SLC6A2SLC6A4KDM4EALDH1A1

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-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP AOC3 2000/4885MEN1 2445/4885KMT2A 3830/4885

“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.