SCHEMBL25587333

SCHEMBL25587333

CC(C)(C)C(=O)N[C@@H]1C[C@H](O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SSTR1 P30872 2/20 0.36
SSTR4 P31391 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CETP P11597 1/20 0.36
TSHR P16473 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
DRD2 P14416 3/20 0.35
HTR1A P08908 2/20 0.35
PARP1 P09874 2/20 0.35
HTR2A P28223 1/20 0.34
DRD3 P35462 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
SCHEMBL25587310 1.00 CCR2 (0.39) CCR2PKMNPSR1SSTR1SSTR4
SCHEMBL8062901 0.83 GAA (0.40) LMNAPARP1
SCHEMBL29410344 0.83 GAA (0.40) LMNAPARP1
SCHEMBL24015488 0.81 PTGDR2 (0.50) NPSR1PTGDR2LMNAPARP1
SCHEMBL7526613 0.81 PTGDR2 (0.50) NPSR1PTGDR2LMNAPARP1
SCHEMBL18701560 0.74 PDPK1 (0.56) LMNA
SCHEMBL2399818 0.72 SLC6A2 (0.53) TSHR
SCHEMBL19531694 0.72 DRD2 (0.47) SSTR4DRD2HTR2ADRD3
SCHEMBL14335627 0.72 HTT (0.63) LMNA
SCHEMBL28288067 0.72 HTR2A (0.40) LMNAHTR2A

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 4 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-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
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 CCR2 3166/4885PKM 2290/4885NPSR1 4691/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CCR2 3220/4885PKM 2040/4885NPSR1 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.