SCHEMBL1713696

SCHEMBL1713696

COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.58
SLC6A4 P31645 6/20 0.58
SLC6A2 P23975 1/20 0.58
RORC P51449 1/20 0.50
F10 P00742 3/20 0.49
PRSS1 P07477 2/20 0.49

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
SCHEMBL2781321 1.00 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL190976 1.00 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL1972348 1.00 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL1977849 1.00 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL190977 1.00 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL2226084 1.00 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL30693235 1.00 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL1892809 0.90 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL2354780 0.90 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2RORCF10
SCHEMBL1974759 0.90 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2RORCF10

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-2398768-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-8318759-B2 Pyrrolidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
EP-2398768-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
EP-2185540-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
WO-2010094667-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-08-19 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-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 SLC6A3 6/4885SLC6A4 202/4885SLC6A2 168/4885

“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.