SCHEMBL23750417

SCHEMBL23750417

CC(=O)C[C@@H](CN)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 7/20 0.49
▸ GABBR1 Q9UBS5 7/20 0.49
▸ LMNA P02545 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ THRB P10828 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 1/20 0.39
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL23750165 0.83 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL23750201 0.83 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL23750252 0.83 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL23750381 0.83 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL23750250 0.83 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL14900639 0.82 GABBR2 (0.72) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL11080457 0.78 TSHR (0.42) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL26923223 0.75 GABBR2 (0.35) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL26922751 0.75 GABBR2 (0.35) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL26922749 0.75 GABBR2 (0.35) GABBR2GABBR1LMNACYP2C9CYP1A2

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-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 (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-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 GABBR2 4179/4885GABBR1 4092/4885LMNA 1052/4885

“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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