SCHEMBL1713679

SCHEMBL1713679

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
MC4R P32245 4/20 0.42
NTRK1 P04629 3/20 0.41
F10 P00742 2/20 0.41
KDM1A O60341 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
TACR1 P25103 1/20 0.39
SLC6A4 P31645 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
SCHEMBL2998960 0.91 SIGMAR1 (0.45) RORCSIGMAR1
SCHEMBL12303455 0.87 RORC (0.53) RORCF10KDM1ASIGMAR1TACR1
SCHEMBL1713776 0.87 RORC (0.47) RORCF10SIGMAR1SLC6A4
SCHEMBL1713602 0.87 RORC (0.47) RORCF10SIGMAR1SLC6A4
SCHEMBL19271019 0.85 RORC (0.49) RORCF10SIGMAR1SLC6A4
SCHEMBL31412642 0.85 RORC (0.49) RORCF10SIGMAR1SLC6A4
SCHEMBL1438763 0.84 RORC (0.52) RORCMC4RF10KDM1ASIGMAR1
SCHEMBL1986464 0.84 RORC (0.54) RORCMC4RF10KDM1ASIGMAR1
SCHEMBL1713654 0.84 RORC (0.54) RORCMC4RF10KDM1ASIGMAR1
SCHEMBL3342666 0.84 RORC (0.54) RORCMC4RF10KDM1ASIGMAR1

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 517/4885MC4R 189/4885NTRK1 294/4885

“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.