SCHEMBL25533481

SCHEMBL25533481

CC(C)C1CC(=O)N(CCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)NCOC2(C(=O)C(C)(C)C)CCCC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.38
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
OPRD1 P41143 1/20 0.36
YAP1 P46937 1/20 0.35
OPRK1 P41145 2/20 0.35
AKT1 P31749 1/20 0.35
PSMB1 P20618 2/20 0.34
PSMB5 P28074 2/20 0.34
PSMB2 P49721 2/20 0.34
TACR2 P21452 2/20 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
SCHEMBL24038020 0.93 OPRL1 (0.39) OPRL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24037979 0.92 OPRL1 (0.39) OPRL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24037971 0.90 OPRL1 (0.40) OPRL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24038006 0.89 OPRL1 (0.39) OPRL1OPRD1OPRK1AKT1PSMB1
SCHEMBL24343361 0.88 OPRL1 (0.39) OPRL1OPRD1OPRK1
SCHEMBL25649781 0.85 OPRL1 (0.41) OPRL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23718711 0.84 OPRL1 (0.39) OPRL1OPRD1OPRK1PSMB5PSMB2
SCHEMBL24342133 0.84 OPRL1 (0.38) OPRL1OPRD1OPRK1
SCHEMBL27268254 0.84 OPRL1 (0.43) OPRL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25881766 0.84 OPRL1 (0.42) OPRL1HDAC3HDAC4HDAC1HDAC7

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-20230165969-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-06-01 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-20230165969-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF CFD, DDOST, HEXD OPRL1 2635/4885HDAC3 2474/4885HDAC4 2531/4885

“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.