SCHEMBL25981963

SCHEMBL25981963

COC(=O)CN1CCN(CC(=O)OC)CCN(C(CCC(=O)NC(C)(C)C)C(=O)OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
CACNA1H O95180 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
TACR1 P25103 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
PKM P14618 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
SCHEMBL25931762 0.79 TACR1 (0.32) TACR1
SCHEMBL22458516 0.78 ALB (0.44) ALDH1A1SMN1; SMN2GAALMNAKMT2A
SCHEMBL26756418 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAALMNAKMT2A
SCHEMBL5376196 0.77 TACR1 (0.36) ALDH1A1SMN1; SMN2LMNASIGMAR1TACR1
SCHEMBL12156552 0.77 TACR1 (0.36) ALDH1A1SMN1; SMN2LMNASIGMAR1TACR1
SCHEMBL12156565 0.77 TACR1 (0.36) ALDH1A1SMN1; SMN2LMNASIGMAR1TACR1
SCHEMBL8474356 0.76 TSHR (0.43) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21454264 0.76 MEN1 (0.35) SMN1; SMN2KMT2AMEN1SIGMAR1TACR1
SCHEMBL29589915 0.75 SIGMAR1 (0.36) KMT2AMEN1SIGMAR1MAPT
SCHEMBL18538872 0.74 APLNR (0.38) KMT2AMEN1CACNA1HSIGMAR1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256121-A1 DOTA-HAPTEN COMPOSITIONS FOR ANTI-DOTA/ANTI-TUMOR ANTIGEN BISPECIFIC ANTIBODY PRETARGETED RADIOIMMUNOTHERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 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-20230256121-A1 DOTA-HAPTEN COMPOSITIONS FOR ANTI-DOTA/ANTI-TUMOR ANTIGEN BISPECIFIC ANTIBODY PRETARGETED RADIOIMMUNOTHERAPY CD47, HLA-B, HLA-C ALDH1A1 4575/4885SMN1; SMN2 4434/4885GAA 98/4885

“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.