SCHEMBL1713451

SCHEMBL1713451

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.50
MC4R P32245 6/20 0.47
F10 P00742 2/20 0.45
PRSS1 P07477 2/20 0.45
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
DPP4 P27487 1/20 0.42
GRIN2B Q13224 1/20 0.41
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40

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
SCHEMBL1344715 0.91 RORC (0.50) RORCMC4RF10PRSS1S1PR1
SCHEMBL1438763 0.91 RORC (0.52) RORCMC4RF10PRSS1S1PR1
SCHEMBL1345133 0.90 RORC (0.53) RORCMC4RF10PRSS1S1PR1
SCHEMBL1344798 0.90 RORC (0.53) RORCMC4RF10PRSS1S1PR1
SCHEMBL1344658 0.86 RORC (0.59) RORCMC4RS1PR1S1PR5
SCHEMBL1443765 0.86 RORC (0.59) RORCMC4RS1PR1S1PR5
SCHEMBL1723896 0.84 RORC (0.58) RORCMC4RS1PR1S1PR5
SCHEMBL1713398 0.84 RORC (0.58) RORCMC4RS1PR1S1PR5
SCHEMBL7832811 0.83 RORC (0.61) RORCF10PRSS1S1PR1S1PR5
SCHEMBL7883236 0.83 RORC (0.61) RORCF10PRSS1S1PR1S1PR5

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 189/4885F10 4157/4885

“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.