SCHEMBL25993535

SCHEMBL25993535

CN[C@@H]1CCCN(CCN(C(=O)OC(C)(C)C)c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.46
▸ DDR1 Q08345 5/20 0.42
▸ EPHX2 P34913 4/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SLC6A4 P31645 4/20 0.39
▸ SLC6A3 Q01959 4/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 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
SCHEMBL23389185 0.87 KDM2B (0.47) KDM2BDDR1EPHX2HRH3SLC6A4
SCHEMBL23389187 0.87 KDM2B (0.47) KDM2BDDR1EPHX2HRH3SLC6A4
SCHEMBL23389098 0.87 KDM2B (0.41) KDM2BDDR1EPHX2HRH3SLC6A4
SCHEMBL23389099 0.87 KDM2B (0.41) KDM2BDDR1EPHX2HRH3SLC6A4
SCHEMBL25987824 0.85 CHRM4 (0.42) KDM2BEPHX2
SCHEMBL3425497 0.71 SERPINE1 (0.45) EPHX2GPR119
SCHEMBL25987835 0.70 CHRM4 (0.45) KDM2BEPHX2SLC6A4SLC6A3
SCHEMBL1359641 0.69 SIGMAR1 (0.46) MEN1KMT2AATM
SCHEMBL25987838 0.69 L3MBTL1 (0.36) EPHX2
SCHEMBL23389107 0.69 KMT2A (0.55) EPHX2MEN1KMT2AATM

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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 KDM2B 3814/4885DDR1 1956/4885EPHX2 3551/4885

“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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