SCHEMBL4011887

SCHEMBL4011887

COC(=O)C1CN(Cc2ccccc2)CC1c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.54
PRSS1 P07477 4/20 0.54
CCR5 P51681 1/20 0.52
RORC P51449 1/20 0.50
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46

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
SCHEMBL14498495 0.89 RORC (0.57) F10PRSS1RORCSLC6A2SLC6A4
SCHEMBL7888069 0.89 RORC (0.57) F10PRSS1RORCSLC6A2SLC6A4
SCHEMBL5110560 0.89 RORC (0.57) F10PRSS1RORCSLC6A2SLC6A4
SCHEMBL4661703 0.89 RORC (0.57) F10PRSS1RORCSLC6A2SLC6A4
SCHEMBL4661705 0.89 RORC (0.57) F10PRSS1RORCSLC6A2SLC6A4
SCHEMBL23417389 0.89 F10 (0.54) F10PRSS1RORCSLC6A2SLC6A4
SCHEMBL21413473 0.89 F10 (0.54) F10PRSS1RORCSLC6A2SLC6A4
SCHEMBL24240396 0.89 F10 (0.54) F10PRSS1CCR5RORCSLC6A2
SCHEMBL320746 0.88 RORC (0.55) F10PRSS1RORCSLC6A2SLC6A4
SCHEMBL1804309 0.88 F10 (0.53) F10PRSS1

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-1957450-B1 SEROTONIN TRANSPORTER (SERT) INHIBITORS HOFFMANN LA ROCHE (CH) 2009-06-24 EP disclosed
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 F10 391/4885PRSS1 272/4885CCR5 1483/4885

“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.