SCHEMBL4006722

SCHEMBL4006722

FC(F)(F)c1cccc(COC[C@H]2CNC[C@H]2c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.52
SLC6A4 P31645 5/20 0.44
IDO1 P14902 2/20 0.44
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
HTR2A P28223 2/20 0.42
MAOB P27338 1/20 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
SCHEMBL5839307 1.00 TACR1 (0.52) TACR1SLC6A4IDO1HTR2CHTR2B
SCHEMBL5839321 1.00 TACR1 (0.52) TACR1SLC6A4IDO1HTR2CHTR2B
SCHEMBL4964218 1.00 TACR1 (0.52) TACR1SLC6A4IDO1HTR2CHTR2B
Hydrochloric Acid SCHEMBL4009327 0.99 TACR1 (0.51) TACR1SLC6A4IDO1HTR2CHTR2B
SCHEMBL4967825 0.91 TACR1 (0.52) TACR1SLC6A4
SCHEMBL4005877 0.91 TACR1 (0.52) TACR1SLC6A4
Hydrochloric Acid SCHEMBL4005504 0.89 TACR1 (0.51) TACR1SLC6A4
Hydrochloric Acid SCHEMBL5840730 0.89 TACR1 (0.51) TACR1SLC6A4
Hydrochloric Acid SCHEMBL5840741 0.89 TACR1 (0.51) TACR1SLC6A4
SCHEMBL5840994 0.87 TACR1 (0.49) TACR1SLC6A4IDO1HTR2CHTR2B

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-B1 SEROTONIN TRANSPORTER (SERT) INHIBITORS HOFFMANN LA ROCHE (CH) 2009-06-24 EP claimed
EP-1957450-B1 SEROTONIN TRANSPORTER (SERT) INHIBITORS HOFFMANN LA ROCHE (CH) 2009-06-24 EP disclosed
EP-1957450-B1 SEROTONIN TRANSPORTER (SERT) INHIBITORS HOFFMANN LA ROCHE (CH) 2009-06-24 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
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 1/4885IDO1 1279/4885

“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.