SCHEMBL30186558

SCHEMBL30186558

Fc1cccc(CCBr)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
TDP1 Q9NUW8 1/20 0.52
SLC6A3 Q01959 2/20 0.52
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
DAO P14920 2/20 0.46
MIF P14174 1/20 0.46
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL931383 1.00 TAAR1 (0.63) TAAR1TDP1SLC6A3IDO1AGXT
SCHEMBL79429 0.87 TAAR1 (0.59) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL3371633 0.85 TAAR1 (0.74) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL27821895 0.85 TAAR1 (0.57) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL4469226 0.84 TAAR1 (0.55) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL31035947 0.84 TAAR1 (0.55) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL4427688 0.83 TDP1 (0.65) TAAR1TDP1DRD2MAOBALDH1A1
SCHEMBL30361126 0.81
SCHEMBL3830 0.81
SCHEMBL1538139 0.79 TAAR1 (0.54) TAAR1SLC6A3IDO1AGXTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119816484-A Novel piperazine derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2025-04-11 CN disclosed
EP-4526298-A1 PYRAZOLE DERIVATIVES AS STING AGONISTS F. Hoffmann-La Roche AG (CH) 2025-03-26 EP disclosed
CN-119285479-A Preparation and application of novel MAO-B inhibitor containing tetrahydronaphthalene-1-amine structure 重庆医科大学 2025-01-10 CN disclosed
CN-119212989-A Pyrazole derivatives as STING agonists 豪夫迈·罗氏有限公司 2024-12-27 CN disclosed
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2024-07-11 US disclosed
EP-4306522-A1 FUSED RING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF Zhejiang University (CN) 2024-01-17 EP disclosed
WO-2023222644-A1 PYRAZOLE DERIVATIVES AS STING AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2023-11-23 WO disclosed
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN disclosed
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 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-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF TRPM2, TRPM8, TRPM7 TAAR1 2030/4885TDP1 3066/4885SLC6A3 667/4885

“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.