SCHEMBL1713602

SCHEMBL1713602

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
SLC6A3 Q01959 7/20 0.43
SLC6A4 P31645 5/20 0.42
S1PR1 P21453 3/20 0.42
S1PR5 Q9H228 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL1713776 1.00 RORC (0.47) RORCSLC6A3SLC6A4S1PR1S1PR5
SCHEMBL12303455 0.88 RORC (0.53) RORCS1PR1S1PR5SIGMAR1F10
SCHEMBL1713679 0.87 RORC (0.46) RORCSLC6A4SIGMAR1F10
SCHEMBL30693235 0.85 SLC6A3 (0.58) RORCSLC6A3SLC6A4SLC6A2F10
SCHEMBL1972348 0.85 SLC6A3 (0.58) RORCSLC6A3SLC6A4SLC6A2F10
SCHEMBL190976 0.85 SLC6A3 (0.58) RORCSLC6A3SLC6A4SLC6A2F10
SCHEMBL190977 0.85 SLC6A3 (0.58) RORCSLC6A3SLC6A4SLC6A2F10
SCHEMBL1977849 0.85 SLC6A3 (0.58) RORCSLC6A3SLC6A4SLC6A2F10
SCHEMBL2781321 0.85 SLC6A3 (0.58) RORCSLC6A3SLC6A4SLC6A2F10
SCHEMBL1713696 0.85 SLC6A3 (0.58) RORCSLC6A3SLC6A4SLC6A2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012998-B2 Pyrrolidine aryl-ether as NK-3 receptor antagonists Hoffmann—La Roche Inc. (US) 2011-09-06 US disclosed
EP-2185540-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 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-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 517/4885SLC6A3 8/4885SLC6A4 202/4885

“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.