SCHEMBL6721995

SCHEMBL6721995

NC1CCOCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 4/20 0.46
▸ SLC1A2 P43004 2/20 0.32
▸ SLC1A1 P43005 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ ABAT P80404 1/20 0.31
▸ SLC6A12 P48065 1/20 0.31
▸ SLC6A11 P48066 1/20 0.31
▸ PEPD P12955 1/20 0.31
▸ GRM4 Q14833 4/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GRM8 O00222 1/20 0.31
▸ GRM6 O15303 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL15420312 1.00 GABRR1 (0.46) GABRR1SLC1A2SLC1A1TSHRGRM2
SCHEMBL6715587 1.00 GABRR1 (0.46) GABRR1SLC1A2SLC1A1TSHRGRM2
SCHEMBL6719275 1.00 GABRR1 (0.46) GABRR1SLC1A2SLC1A1TSHRGRM2
Bromide SCHEMBL6803599 0.98 GABRR1 (0.44) GABRR1SLC1A2SLC1A1TSHRGRM2
Bromide SCHEMBL6804994 0.98 GABRR1 (0.44) GABRR1SLC1A2SLC1A1TSHRGRM2
SCHEMBL29957861 0.83 GABRR1 (0.46) GABRR1SLC1A2SLC1A1TSHRSLC6A12
SCHEMBL15420686 0.83 GABRR1 (0.46) GABRR1SLC1A2SLC1A1TSHRSLC6A12
SCHEMBL24958749 0.79 — —
SCHEMBL638706 0.79 — —
SCHEMBL12987958 0.79 — —

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4525875-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 — — EP disclosed
WO-2023224894-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-11-23 — — WO disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 — — EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 — — US disclosed
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 — — EP disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 — — US disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 — — WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 — — WO disclosed
US-6835841-B2 Asymmetric catalytic hydrogenation process for preparation of chiral cyclic β-aminoesters BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 — — US disclosed
US-20040082795-A1 Asymmetric catalytic hydrogenation process for preparation of chiral cyclic beta-aminoesters BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 — — 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 GABRR1 214/4885SLC1A2 3/4885SLC1A1 14/4885
US-20040082795-A1 Asymmetric catalytic hydrogenation process for preparation of chiral cyclic beta-aminoesters ADAM17, ADAM9, ADAM12 GABRR1 3396/4885SLC1A2 673/4885SLC1A1 783/4885

“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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