SCHEMBL25600549

SCHEMBL25600549

CC(C)CC(=O)N1CCN(C2CC3(CC(C(=O)C(C)C)C3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ POLB P06746 5/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ATM Q13315 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PKM P14618 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
SCHEMBL25600551 1.00 KDM4E (0.43) KDM4ECYP2C9CYP2C19POLBNPSR1
SCHEMBL25600554 0.87 CNR1 (0.34) KDM4ECYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL25600556 0.87 CNR1 (0.34) KDM4ECYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL25605839 0.85 EPHX1 (0.35) L3MBTL1ALDH1A1KMT2AMEN1NPC1
SCHEMBL25631004 0.82 KDM4E (0.52) KDM4ECYP2C9CYP2C19POLBNPSR1
SCHEMBL25631005 0.82 KDM4E (0.52) KDM4ECYP2C9CYP2C19POLBNPSR1
SCHEMBL16643863 0.75 PTPN1 (0.54) KDM4ECYP2C9CYP2C19POLBNPSR1
SCHEMBL25604717 0.74 KDM4E (0.42) KDM4ECYP2C19POLBALDH1A1KMT2A
SCHEMBL25600401 0.74 HRH3 (0.48) CYP2C19L3MBTL1
SCHEMBL25600400 0.74 HRH3 (0.48) CYP2C19L3MBTL1

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-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 — — 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-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 KDM4E 223/4885CYP2C9 2899/4885CYP2C19 3201/4885

“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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