SCHEMBL25656378

SCHEMBL25656378

COC(=O)[C@H](CC(C)C)n1cccc(-c2ccc(F)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.43
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.37
CHRM3 P20309 1/20 0.36
MAPT P10636 2/20 0.36
PRKCZ Q05513 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL25728204 1.00 OPRK1 (0.43) OPRK1SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL25656375 0.87 OPRK1 (0.48) OPRK1MEN1HPGDKMT2AOPRM1
SCHEMBL25656374 0.78 NPSR1 (0.37) ALDH1A1HPGDTP53HTTMAPT
SCHEMBL24929758 0.78 ELANE (0.38) ALDH1A1TP53MAPT
SCHEMBL25728203 0.78 NPSR1 (0.37) ALDH1A1HPGDTP53HTTMAPT
SCHEMBL14290799 0.72 THRB (0.43) OPRK1ALDH1A1MEN1KMT2AGAA
SCHEMBL11876232 0.71 TRIM24 (0.37) ALDH1A1KMT2AGAANOS3NOS1
SCHEMBL25118202 0.70 ELANE (0.49) ALDH1A1KDM4EHPGD
SCHEMBL24929755 0.70 ALDH1A1 (0.34) ALDH1A1MAPTLMNANPSR1
SCHEMBL25158973 0.70 MRGPRX1 (0.43) MAPT

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-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 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 (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-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ACE, SARS1, ACE2 OPRK1 1339/4885SLC6A4 1629/4885SLC6A3 2998/4885

“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.