SCHEMBL24037979

SCHEMBL24037979

CC(C)(C)C(=O)C1(OCNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CCCCCN2C(=O)CC(C(C)(C)C)C2=O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.39
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
AKT1 P31749 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL24037971 0.99 OPRL1 (0.40) OPRL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24038006 0.97 OPRL1 (0.39) OPRL1AKT1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL25533481 0.92 OPRL1 (0.38) OPRL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24037983 0.90 OPRL1 (0.39) OPRL1AKT1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL24037651 0.90 OPRL1 (0.37) OPRL1AKT1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL24038011 0.87 OPRL1 (0.39) OPRL1AKT1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL26067120 0.86 OPRL1 (0.41) OPRL1AKT1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL23718564 0.85 OPRL1 (0.40) OPRL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23680209 0.85 OPRL1 (0.38) OPRL1AKT1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL23718792 0.85 OPRL1 (0.38) OPRL1AKT1OPRD1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165969-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-06-01 US disclosed
US-20230165969-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-06-01 US disclosed
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 (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-20230165969-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF CFD, DDOST, HEXD OPRL1 2635/4885HDAC3 2474/4885HDAC4 2531/4885
US-20210353764-A1 LIGAND-DRUG CONJUGATE OF EXATECAN ANALOGUE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF GLP1R, ADGRF1, CCKAR OPRL1 269/4885HDAC3 2038/4885HDAC4 1746/4885

“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.