SCHEMBL25212692

SCHEMBL25212692

Nc1c(OCC(F)F)cc(F)nc1Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ REN P00797 1/20 0.30
▸ CTSD P07339 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL30723493 0.77 HTR2A (0.33) HTR2AHTR2CHTR2BTLR8REN
SCHEMBL25254061 0.73 MBOAT4 (0.32) MBOAT4HTR2AHTR2CHTR2B
SCHEMBL16703136 0.71 SCN9A (0.33) HTR2AHTR2CHTR2BRENCTSD
SCHEMBL34471462 0.70 GRM2 (0.30) —
SCHEMBL34471808 0.69 ACACB (0.31) —
SCHEMBL18205343 0.67 PDE8A (0.32) —
SCHEMBL25244277 0.67 GRM4 (0.38) —
SCHEMBL21608759 0.67 BACE1 (0.33) HTR2AHTR2CHTR2BTLR8REN
SCHEMBL22235500 0.67 HTT (0.46) HTR2AHTR2CHTR2BTLR8
SCHEMBL29778825 0.67 BACE1 (0.33) HTR2AHTR2CHTR2BTLR8REN

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-4509122-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2025-02-19 — — EP disclosed
EP-4188930-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-10-23 — — EP disclosed
US-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 — — US disclosed
EP-4188930-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 — — EP 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-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF CYP11B2, SDHA, UGT2B7 MBOAT4 3260/4885S1PR4 2772/4885HTR2A 1384/4885

“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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