SCHEMBL4965173

SCHEMBL4965173

FC(F)(F)c1cc(COCC2CNCC2c2ccc(Cl)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.42
SLC6A4 P31645 11/20 0.42
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 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
SCHEMBL4004323 1.00 TACR1 (0.42) TACR1SLC6A4KCNH2SCN9A
Hydrochloric Acid SCHEMBL4008396 0.99 TACR1 (0.41) TACR1SLC6A4KCNH2SCN9A
SCHEMBL4967490 0.89 TACR1 (0.46) TACR1SLC6A4
SCHEMBL4006579 0.89 TACR1 (0.46) TACR1SLC6A4
Hydrochloric Acid SCHEMBL4004263 0.88 TACR1 (0.45) TACR1SLC6A4
SCHEMBL4005877 0.88 TACR1 (0.52) TACR1SLC6A4
SCHEMBL4967825 0.88 TACR1 (0.52) TACR1SLC6A4
SCHEMBL4008351 0.88 TACR1 (0.47) TACR1SLC6A4KCNH2
SCHEMBL4964048 0.88 TACR1 (0.47) TACR1SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4005504 0.87 TACR1 (0.51) 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 1/4885KCNH2 1452/4885

“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.