SCHEMBL21610485

SCHEMBL21610485

NCC(CC(=O)O)c1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 4/20 0.67
▸ GABBR1 Q9UBS5 4/20 0.67
▸ LMNA P02545 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GAA P10253 1/20 0.49
▸ CTSA P10619 1/20 0.48
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46

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
Hydrochloric Acid SCHEMBL29847994 0.98 GABBR2 (0.65) GABBR2GABBR1LMNACYP2C9CYP3A4
Hydrochloric Acid SCHEMBL21609298 0.98 GABBR2 (0.65) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL7141329 0.90 FNTA (0.53) GABBR2GABBR1MEN1KMT2AGAA
SCHEMBL23750202 0.86 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL24878666 0.83 GABBR2 (0.45) GABBR2GABBR1LMNACYP3A4ADORA3
SCHEMBL23750211 0.83 GABBR2 (0.45) GABBR2GABBR1LMNACYP3A4ADORA3
SCHEMBL11078413 0.82 IDO1 (0.52) GABBR2GABBR1GAA
Phenibut SCHEMBL340838 0.81 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4
Phenibut SCHEMBL351501 0.81 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4
Phenibut SCHEMBL9545047 0.81 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4

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
EP-3810633-B1 COMPOUNDS SPERO THERAPEUTICS INC (US) 2023-12-13 — — EP disclosed
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
WO-2020002325-A1 COMPOUNDS SPERO THERAPEUTICS, INC. (US) 2020-01-02 — — WO 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 4101/4885LMNA 867/4885
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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