SCHEMBL31369848

SCHEMBL31369848

Cn1cnc(CNCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTOR P42345 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HPGDS O60760 1/20 0.39
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.36
OGA O60502 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK1 P28482 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL31369584 0.84 HRH4 (0.49) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL19236759 0.84 HPGDS (0.43) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL30894898 0.82 CYP2C9 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2937818 0.79 HPGDS (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2629331 0.77 CYP2C9 (0.56) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13100180 0.77 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27340963 0.77 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL876467 0.77 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12332384 0.76 NPSR1 (0.49) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL1310275 0.76 TDP1 (0.58) CYP2C9TSHRCYP2C19MTORHRH4

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 CYP2C9 4328/4885TSHR 2791/4885CYP2C19 4639/4885

“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.