SCHEMBL4011897

SCHEMBL4011897

COC(=O)C1CN(Cc2ccccc2)CC1c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
F10 P00742 5/20 0.42
PRSS1 P07477 3/20 0.42

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
SCHEMBL29327391 0.89 MC1R (0.51) MEN1KMT2AF10PRSS1
SCHEMBL1920165 0.89 MC1R (0.51) MEN1KMT2AF10PRSS1
SCHEMBL21036764 0.88 DPP4 (0.47) F10PRSS1
SCHEMBL20994279 0.88 DPP4 (0.47) F10PRSS1
SCHEMBL1946746 0.88 DRD2 (0.53) F10PRSS1
SCHEMBL13041175 0.87 S1PR1 (0.46) RORCSLC6A2SLC6A4SLC6A3F10
SCHEMBL3436382 0.87 S1PR1 (0.46) RORCSLC6A2SLC6A4SLC6A3F10
SCHEMBL23924457 0.86 S1PR5 (0.49) RORCMEN1KMT2A
SCHEMBL23924454 0.86 S1PR5 (0.49) RORCMEN1KMT2A
SCHEMBL3736399 0.86 RORC (0.49) RORCSLC6A2SLC6A4SLC6A3F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed
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 RORC 3055/4885MEN1 1827/4885KMT2A 3169/4885

“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.