SCHEMBL31369895

SCHEMBL31369895

CN[C@@H](CCc1ccccc1OC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TAAR1 Q96RJ0 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7340397 0.87 CTSG (0.49) ALDH1A1GAAKMT2AMEN1TAAR1
SCHEMBL31688471 0.87 CTSG (0.49) ALDH1A1GAAKMT2AMEN1TAAR1
Hydrochloric Acid SCHEMBL8065739 0.86 CTSG (0.48) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL29855236 0.85 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1GAAKMT2A
SCHEMBL22444688 0.85 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1GAAKMT2A
SCHEMBL16203411 0.85 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1GAAKMT2A
SCHEMBL31688681 0.82 MEN1 (0.53) KMT2AMEN1
SCHEMBL21408984 0.80 CTSK (0.54) MTNR1AMTNR1BALDH1A1GAATSHR
SCHEMBL12305802 0.80 CTSK (0.54) MTNR1AMTNR1BALDH1A1GAATSHR
SCHEMBL8238588 0.80 CTSK (0.54) MTNR1AMTNR1BALDH1A1GAATSHR

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MTNR1A 3497/4885MTNR1B 3294/4885ALDH1A1 4472/4885

“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.