SCHEMBL25587258

SCHEMBL25587258

CC[C@H](NC(=O)C(C)(C)C)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
ASAH1 Q13510 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL24568578 1.00 CNR2 (0.37) CNR2ASAH1NPSR1CYP1A2CYP3A4
SCHEMBL25587257 1.00 CNR2 (0.37) CNR2ASAH1NPSR1CYP1A2CYP3A4
SCHEMBL25590074 0.83 ASAH1 (0.36) CNR2ASAH1NPSR1L3MBTL1POLB
SCHEMBL25590071 0.83 ASAH1 (0.36) CNR2ASAH1NPSR1L3MBTL1POLB
SCHEMBL25590075 0.83 ASAH1 (0.36) CNR2ASAH1NPSR1L3MBTL1POLB
SCHEMBL12404657 0.83 CNR2 (0.39) CNR2ASAH1NPSR1CYP1A2CYP3A4
SCHEMBL17777049 0.78 CTRB1 (0.39) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL22286768 0.78 ALDH1A1 (0.34) CYP2D6CYP2C19PRSS1CTSGCTRB1
SCHEMBL17777038 0.78 CTRB1 (0.39) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL30675671 0.75 GAA (0.39) PRSS1CTSGCTRB1CMA1CA1

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 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 (2 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CNR2 4431/4885ASAH1 3833/4885NPSR1 4691/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CNR2 4236/4885ASAH1 3953/4885NPSR1 4695/4885

“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.