SCHEMBL31369902

SCHEMBL31369902

CN[C@@H](C(=O)O)[C@H](C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.50
CYP2D6 P10635 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA1A P35348 1/20 0.47
RGS12 O14924 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
ADRA2C P18825 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
GNAI1 P63096 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 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
SCHEMBL31370476 1.00 MME (0.50) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL31688764 1.00 MME (0.50) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL27555773 1.00 MME (0.50) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL27555772 1.00 MME (0.50) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL3266526 0.91 MME (0.44) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL7368324 0.85 ALOX5 (0.44) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL14063482 0.82 CYP2D6 (0.46) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL9186752 0.82 CYP2D6 (0.46) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL9186761 0.82 CYP2D6 (0.46) MMECYP2D6CHRM2ADRA1ARGS12
SCHEMBL2329884 0.81 MME (0.51) MMEHSD17B10KMT2AMEN1SRC

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 MME 861/4885CYP2D6 4374/4885CHRM2 4876/4885

“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.