SCHEMBL26009355

SCHEMBL26009355

CCCCOC[C@H](N)C=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
CYP3A4 P08684 3/20 0.39
USP2 O75604 1/20 0.37
TSHR P16473 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
PLA2G2C Q5R387 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL12259138 1.00 HTT (0.40) HTTCYP3A4USP2TSHRCYP1A2
Hydrochloric Acid SCHEMBL4380142 0.98 HTT (0.39) HTTCYP3A4USP2TSHRCYP1A2
Hydrochloric Acid SCHEMBL4971273 0.98 HTT (0.39) HTTCYP3A4USP2TSHRCYP1A2
SCHEMBL26009361 0.94 HTT (0.47) HTTCYP3A4USP2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4969412 0.87 HTT (0.46) HTTCYP3A4USP2CYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL2221437 0.79 CES2 (0.50) HTTUSP2CYP1A2PLA2G2C
Trifluoroacetic Acid SCHEMBL2221152 0.79 CES2 (0.50) HTTUSP2CYP1A2PLA2G2C
SCHEMBL12586739 0.77 USP2 (0.38) HTTCYP3A4USP2TSHRCYP1A2
SCHEMBL10949893 0.77 USP2 (0.38) HTTCYP3A4USP2TSHRCYP1A2
SCHEMBL10095223 0.77 USP2 (0.38) HTTCYP3A4USP2TSHRCYP1A2

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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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 (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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP HTT 895/4885CYP3A4 4397/4885USP2 1463/4885

“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.