SCHEMBL23389114

SCHEMBL23389114

O=C(O)NC1CCCN(CCNc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.49
▸ KDM2B Q8NHM5 1/20 0.49
▸ EPHX1 P07099 2/20 0.48
▸ ACHE P22303 1/20 0.46
▸ MCHR1 Q99705 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ DRD4 P21917 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL25987817 0.86 ACHE (0.49) EPHX2KDM2BEPHX1ACHEMCHR1
SCHEMBL23389214 0.80 EPHX2 (0.42) EPHX2KDM2BEPHX1ACHEHRH3
SCHEMBL23389211 0.80 EPHX2 (0.42) EPHX2KDM2BEPHX1ACHEHRH3
SCHEMBL23419098 0.76 HRH3 (0.56) EPHX2ACHEMCHR1HRH3
SCHEMBL23881938 0.74 SLC6A1 (0.43) —
SCHEMBL23881940 0.74 SLC6A1 (0.43) —
SCHEMBL23573338 0.73 EPHX2 (0.72) EPHX2EPHX1POLB
SCHEMBL25987834 0.73 CTSL (0.48) EPHX1HTR2A
SCHEMBL23389106 0.72 KMT2A (0.55) EPHX2EPHX1POLB
SCHEMBL23389107 0.72 KMT2A (0.55) EPHX2EPHX1POLB

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 2 patents. 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
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — WO 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 EPHX2 3551/4885KDM2B 3814/4885EPHX1 2787/4885

“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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