SCHEMBL25262695

SCHEMBL25262695

CN(Cc1ccc(C(F)(F)F)cc1F)C1CN(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.50
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ HTR2A P28223 3/20 0.41
▸ RORC P51449 3/20 0.41
▸ PDK2 Q15119 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ LTC4S Q16873 1/20 0.39
▸ POLQ O75417 2/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ PRKX P51817 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ MGLL Q99685 1/20 0.37

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
SCHEMBL25259349 0.85 TACR1 (0.47) SLC6A4SLC6A2SLC6A3HTR2ARORC
SCHEMBL30700163 0.78 MGLL (0.42) SLC6A4SLC6A2SLC6A3HTR2ARORC
SCHEMBL30700687 0.78 MCHR1 (0.43) SLC6A4SLC6A2SLC6A3HTR2ARORC
SCHEMBL22462908 0.78 MGLL (0.56) SLC6A4SLC6A2SLC6A3HTR2AIDO1
SCHEMBL25296154 0.77 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR2APOLQ
SCHEMBL21722779 0.77 IDO1 (0.39) SLC6A4SLC6A2SLC6A3IDO1S1PR1
SCHEMBL19411886 0.77 IDO1 (0.48) SLC6A4IDO1S1PR1PRKXIKBKE
SCHEMBL25254744 0.77 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HTR2ARORC
SCHEMBL22462869 0.76 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3RORCIDO1
SCHEMBL30700165 0.75 MCHR1 (0.41) SLC6A4SLC6A2SLC6A3HTR2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY SLC6A4 4365/4885SLC6A2 4620/4885SLC6A3 4359/4885

“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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