SCHEMBL30564475

SCHEMBL30564475

C=CCOC(=O)N(C)C(CCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ AKR1A1 P14550 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ GRIK1 P39086 1/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL27131685 0.81 TDP1 (0.39) TSHRTDP1CYP3A4
SCHEMBL27032963 0.81 TDP1 (0.39) TSHRTDP1CYP3A4
SCHEMBL28894252 0.77 TDP1 (0.39) TSHRTDP1CYP3A4
SCHEMBL30476795 0.76 CHRM1 (0.45) TSHRTDP1CHRM1AKR1A1CHRM3
SCHEMBL2969773 0.76 ITGB3 (0.45) CHRM1CYP3A4
SCHEMBL6130393 0.76 ITGB3 (0.45) CHRM1CYP3A4
SCHEMBL23879167 0.75 CASP1 (0.33) TSHRTDP1CYP3A4
SCHEMBL2571456 0.75 TSHR (0.40) TSHRTDP1
SCHEMBL7593909 0.74 TDP1 (0.34) TSHRTDP1CYP3A4
SCHEMBL3146411 0.74 TDP1 (0.34) TSHRTDP1CYP3A4

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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — 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 (2 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP TSHR 2119/4885TDP1 3976/4885CHRM1 4863/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP TSHR 2871/4885TDP1 3630/4885CHRM1 4877/4885

“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.

Send feedback