SCHEMBL18003609

SCHEMBL18003609

FC(F)(F)c1cc(COCc2cccc(Br)n2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.47
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
IDO1 P14902 4/20 0.42
SLC6A4 P31645 3/20 0.39

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
SCHEMBL18003273 0.87 IDO1 (0.44) TACR1IDO1
SCHEMBL21945101 0.83 TACR1 (0.50) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL18002922 0.80 TACR1 (0.44) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL18003457 0.80 CTSS (0.46) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL26070134 0.78 TACR1 (0.46) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL18003640 0.73 TACR1 (0.50) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL1876814 0.71 TACR1 (0.52) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL18005560 0.71 TACR1 (0.37) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL18003057 0.71 MMP2 (0.35) SLC6A4
SCHEMBL4504221 0.70 CETP (0.40)

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 TACR1 2704/4885CACNA1F 1087/4885CACNA1D 1642/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TACR1 2704/4885CACNA1F 1087/4885CACNA1D 1642/4885

“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.