SCHEMBL24037988

SCHEMBL24037988

C[C@H](CC1CC1)OCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.44
▸ OPRD1 P41143 3/20 0.39
▸ REN P00797 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ ACE P12821 2/20 0.37
▸ ACE2 Q9BYF1 2/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL26348504 0.90 AKT1 (0.45) AKT1OPRD1RENALDH1A1SMN1; SMN2
SCHEMBL25877236 0.88 AKT1 (0.44) AKT1OPRD1RENPSMB5OPRM1
SCHEMBL25877071 0.88 AKT1 (0.44) AKT1OPRD1RENPSMB5OPRM1
SCHEMBL25877257 0.88 AKT1 (0.44) AKT1OPRD1RENPSMB5OPRM1
SCHEMBL26503041 0.88 AKT1 (0.47) AKT1OPRD1RENALDH1A1SMN1; SMN2
SCHEMBL26348473 0.87 AKT1 (0.40) AKT1OPRD1RENHRH1PSMB5
SCHEMBL26678546 0.87 AKT1 (0.42) AKT1OPRD1ALDH1A1SMN1; SMN2HRH1
SCHEMBL26027305 0.87 AKT1 (0.42) AKT1OPRD1ALDH1A1SMN1; SMN2HRH1
SCHEMBL26027432 0.87 AKT1 (0.42) AKT1OPRD1ALDH1A1SMN1; SMN2HRH1
SCHEMBL22479733 0.84 AKT1 (0.48) AKT1OPRD1ALDH1A1SMN1; SMN2PSMB5

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-20210353764-A1 LIGAND-DRUG CONJUGATE OF EXATECAN ANALOGUE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-11-18 — — 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-20210353764-A1 LIGAND-DRUG CONJUGATE OF EXATECAN ANALOGUE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF GLP1R, ADGRF1, CCKAR AKT1 1605/4885OPRD1 1381/4885REN 2925/4885

“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.

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