SCHEMBL3489126

SCHEMBL3489126

O=C(O)[C@@H]1C[C@@H](O)[C@H](F)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.40
▸ ABAT P80404 2/20 0.36
▸ CYP2C19 P33261 3/20 0.35
▸ CYP2D6 P10635 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ OAT P04181 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ PMP22 Q01453 2/20 0.32
▸ APLNR P35414 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32

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
SCHEMBL1860320 1.00 GABRR1 (0.40) GABRR1ABATCYP2C19CYP2D6CYP1A2
SCHEMBL31162259 1.00 GABRR1 (0.40) GABRR1ABATCYP2C19CYP2D6CYP1A2
SCHEMBL31162331 1.00 GABRR1 (0.40) GABRR1ABATCYP2C19CYP2D6CYP1A2
SCHEMBL20602646 1.00 GABRR1 (0.40) GABRR1ABATCYP2C19CYP2D6CYP1A2
SCHEMBL31162246 1.00 GABRR1 (0.40) GABRR1ABATCYP2C19CYP2D6CYP1A2
SCHEMBL25348287 1.00 GABRR1 (0.40) GABRR1ABATCYP2C19CYP2D6CYP1A2
SCHEMBL20599432 0.84 CYP2C19 (0.41) GABRR1ABATCYP2C19CYP2D6CYP1A2
SCHEMBL15129665 0.84 CYP2C19 (0.41) GABRR1ABATCYP2C19CYP2D6CYP1A2
SCHEMBL31162423 0.84 CYP2C19 (0.41) GABRR1ABATCYP2C19CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL11818531 0.81 CYP2C19 (0.39) GABRR1ABATCYP2C19CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024219479-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE EAファーマ株式会社 2024-10-24 — — WO disclosed
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 — — EP disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 — — 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-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 GABRR1 652/4885ABAT 4693/4885CYP2C19 583/4885

“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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