SCHEMBL1713810

SCHEMBL1713810

C[C@@H](O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.61
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
TACR1 P25103 2/20 0.47
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
FUCA1 P04066 2/20 0.42
GRIN2B Q13224 2/20 0.42
EPHX1 P07099 1/20 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
SCHEMBL1713857 1.00 RORC (0.61) RORCKDM4EHTTTACR1POLB
SCHEMBL1714493 1.00 RORC (0.61) RORCKDM4EHTTTACR1POLB
SCHEMBL12303418 0.91 RORC (0.64) RORCKDM4EFUCA1GRIN2B
SCHEMBL8089286 0.91 RORC (0.64) RORCKDM4EFUCA1GRIN2B
SCHEMBL12303419 0.91 RORC (0.64) RORCKDM4EFUCA1GRIN2B
SCHEMBL8089289 0.91 RORC (0.64) RORCKDM4EFUCA1GRIN2B
SCHEMBL1343829 0.88 RORC (0.62) RORCTACR1DRD2DRD3FUCA1
SCHEMBL15121585 0.88 RORC (0.62) RORCTACR1DRD2DRD3FUCA1
SCHEMBL1443541 0.88 RORC (0.62) RORCTACR1DRD2DRD3FUCA1
SCHEMBL1342948 0.88 RORC (0.62) RORCTACR1DRD2DRD3FUCA1

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
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
EP-2185540-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009019163-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO 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 517/4885KDM4E 1405/4885HTT 664/4885

“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.