SCHEMBL23750142

SCHEMBL23750142

CCC(=O)C[C@H](CN)c1cccc(CC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 1/20 0.42
▸ GABBR1 Q9UBS5 1/20 0.42
▸ EPHX1 P07099 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PTGS1 P23219 3/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ AKR1C3 P42330 2/20 0.35
▸ CXCR1 P25024 2/20 0.35
▸ CXCR2 P25025 2/20 0.35
▸ ALB P02768 1/20 0.35
▸ ESR1 P03372 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
SCHEMBL23750229 0.90 F10 (0.39) EPHX1ALOX5MTNR1AMTNR1BF10
SCHEMBL23750228 0.85 GABBR2 (0.43) GABBR2GABBR1EPHX1NOS3NOS1
SCHEMBL23750143 0.85 GABBR2 (0.43) GABBR2GABBR1EPHX1NOS3NOS1
SCHEMBL24879051 0.83 GABBR2 (0.46) GABBR2GABBR1GAALMNACYP2C9
SCHEMBL26923481 0.81 NOS3 (0.42) NOS3NOS1NOS2HTR2ATAAR1
SCHEMBL26923483 0.81 NOS3 (0.42) NOS3NOS1NOS2HTR2ATAAR1
SCHEMBL26923826 0.81 NOS3 (0.42) NOS3NOS1NOS2HTR2ATAAR1
SCHEMBL23750263 0.79 GABBR2 (0.45) GABBR2GABBR1LMNACYP2C9NFKB1
SCHEMBL24879170 0.79 GABBR2 (0.45) GABBR2GABBR1LMNACYP2C9NFKB1
SCHEMBL24879115 0.78 GABBR2 (0.51) GABBR2GABBR1GAAPTGS2LMNA

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-20230012121-A1 COMPOUNDS SPERO THERAPEUTICS, INC. 2023-01-12 — — US disclosed
US-20210246169-A1 COMPOUNDS SPERO THERAPEUTICS, INC. (US) 2021-08-12 — — 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-20230012121-A1 COMPOUNDS MRPS18A, MRPL37, MRPL21 GABBR2 4122/4885GABBR1 4101/4885EPHX1 3600/4885
US-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 GABBR2 4179/4885GABBR1 4092/4885EPHX1 3581/4885

“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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