SCHEMBL31369409

SCHEMBL31369409

CN[C@@H](CCc1cccc(OC)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL22444713 1.00 CHRM2 (0.54) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL16203413 0.86 TAAR1 (0.54) MEN1KMT2AALDH1A1TAAR1
SCHEMBL17542524 0.86 TAAR1 (0.54) MEN1KMT2AALDH1A1TAAR1
SCHEMBL29855228 0.86 TAAR1 (0.54) MEN1KMT2AALDH1A1TAAR1
SCHEMBL31370050 0.85 MAPK1 (0.45) MEN1KMT2AL3MBTL1
SCHEMBL22444729 0.82 LDHA (0.54) MEN1KMT2AALDH1A1
SCHEMBL16078668 0.82 LDHA (0.54) MEN1KMT2AALDH1A1
SCHEMBL20467759 0.82 LDHA (0.54) MEN1KMT2AALDH1A1
SCHEMBL12305801 0.81 CTSK (0.55)
SCHEMBL8232553 0.81 CTSK (0.55)

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 CHRM2 4876/4885CHRM1 4862/4885CHRM3 4861/4885

“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.