SCHEMBL25936768

SCHEMBL25936768

O=COCN1CCN(CC(=O)O)CCN(CC(CCCCCc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)CC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 7/20 0.38
SIGMAR1 Q99720 2/20 0.38
S1PR1 P21453 1/20 0.37
KCNH2 Q12809 7/20 0.36
OPRK1 P41145 1/20 0.34
CCR2 P41597 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL25936773 0.97 KCNJ1 (0.39) KCNJ1SIGMAR1S1PR1KCNH2OPRK1
SCHEMBL17986201 0.91 KCNJ1 (0.45) KCNJ1SIGMAR1S1PR1KCNH2OPRK1
SCHEMBL3769255 0.88 KCNJ1 (0.46) KCNJ1SIGMAR1S1PR1KCNH2OPRK1
SCHEMBL3249763 0.88 KCNJ1 (0.46) KCNJ1SIGMAR1S1PR1KCNH2OPRK1
SCHEMBL13014054 0.83 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2OPRK1HRH3
SCHEMBL13014130 0.83 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2OPRK1HRH3
SCHEMBL7943880 0.82 KCNJ1 (0.40) KCNJ1SIGMAR1S1PR1KCNH2OPRK1
SCHEMBL16631744 0.81 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2CCR2HRH3
SCHEMBL17986129 0.81 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2CCR2HRH3
SCHEMBL18021193 0.80 SIGMAR1 (0.45) KCNJ1SIGMAR1KCNH2OPRK1CCR2

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-20230248854-A1 METHOD FOR PRODUCING RADIOACTIVE METAL-LABELED ANTIBODY NIHON MEDI-PHYSICS CO., LTD. (JP) 2023-08-10 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-20230248854-A1 METHOD FOR PRODUCING RADIOACTIVE METAL-LABELED ANTIBODY CD4, PTMS, TAC3 KCNJ1 2736/4885SIGMAR1 4708/4885S1PR1 4132/4885

“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.