SCHEMBL25987835

SCHEMBL25987835

CN(CCN1CCC[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ KDM2B Q8NHM5 1/20 0.42
▸ ACHE P22303 2/20 0.42
▸ CCR5 P51681 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL25987824 0.87 CHRM4 (0.42) CHRM4CTSLCTSBCTSKKDM2B
SCHEMBL25987817 0.84 ACHE (0.49) CHRM4CTSLCTSBCTSKKDM2B
SCHEMBL29255622 0.76 CTSL (0.60) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL25987837 0.74 SLC6A3 (0.49) KDM2BCCR5EPHX2ALDH1A1SLC6A4
SCHEMBL25987834 0.73 CTSL (0.48) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL20974071 0.73 CTSL (0.54) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL20974073 0.73 CTSL (0.54) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL25367967 0.73 CTSL (0.49) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL28805923 0.72 OPRM1 (0.58) CTSLCTSBCTSKACHEEPHX1
SCHEMBL28805924 0.72 OPRM1 (0.58) CTSLCTSBCTSKACHEEPHX1

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 CHRM4 4877/4885CTSL 37/4885CTSB 117/4885

“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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