SCHEMBL26501113

SCHEMBL26501113

CC(C)Cn1cc(CCNCCC(=O)C(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
NAMPT P43490 1/20 0.34
GBA1 P04062 3/20 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
SCHEMBL26501075 0.82 CYP19A1 (0.33) HDAC1
SCHEMBL26501071 0.80 GGPS1 (0.36) HDAC1
SCHEMBL26501114 0.80 HDAC1 (0.34) HDAC1
SCHEMBL25110303 0.79 CYP19A1 (0.41) GBA1
SCHEMBL22794227 0.79 ALDH1A1 (0.49) OPRM1OPRD1OPRK1GBA1
SCHEMBL26501115 0.78 NAMPT (0.39) NAMPT
SCHEMBL29307652 0.76 DDX3X (0.37) HDAC1NAMPT
SCHEMBL22803403 0.75 DGAT1 (0.40)
SCHEMBL25110987 0.73 GBA1 (0.43) GBA1
SCHEMBL24713570 0.73 POLB (0.43) NAMPT

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS HDAC1 2570/4885OPRM1 4409/4885OPRD1 3956/4885

“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.