SCHEMBL4967787

SCHEMBL4967787

Fc1ccccc1C1CNCC1COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.45
SLC6A4 P31645 9/20 0.45
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL4006315 1.00 TACR1 (0.45) TACR1SLC6A4CACNA1FCACNA1DCACNA1S
Hydrochloric Acid SCHEMBL4009034 0.99 TACR1 (0.44) TACR1SLC6A4
SCHEMBL4006241 0.88 TACR1 (0.46) TACR1SLC6A4CACNA1FCACNA1DCACNA1S
SCHEMBL4967159 0.88 TACR1 (0.46) TACR1SLC6A4
SCHEMBL4967443 0.88 TACR1 (0.46) TACR1SLC6A4CACNA1FCACNA1DCACNA1S
SCHEMBL4006725 0.88 TACR1 (0.46) TACR1SLC6A4
Hydrochloric Acid SCHEMBL4011840 0.87 TACR1 (0.45) TACR1SLC6A4
Hydrochloric Acid SCHEMBL4002502 0.87 TACR1 (0.45) TACR1SLC6A4CACNA1FCACNA1DCACNA1S
SCHEMBL4967825 0.85 TACR1 (0.52) TACR1SLC6A4
SCHEMBL4005877 0.85 TACR1 (0.52) TACR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957450-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP claimed
WO-2007063009-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
US-20070129419-A1 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. 2007-06-07 US claimed
EP-1957450-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063009-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129419-A1 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. 2007-06-07 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-20070129419-A1 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety SLC6A4, SLC6A2, SLC6A3 TACR1 171/4885SLC6A4 1/4885CACNA1F 784/4885

“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.