SCHEMBL1439342

SCHEMBL1439342

C[C@H](Oc1ccc(Cl)cn1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.61

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
SCHEMBL12789428 1.00 TACR3 (0.61) TACR3
SCHEMBL1439340 1.00 TACR3 (0.61) TACR3
SCHEMBL1441647 0.94 TACR3 (0.66) TACR3
SCHEMBL1441644 0.94 TACR3 (0.66) TACR3
SCHEMBL6526774 0.90 TACR3 (0.60) TACR3
SCHEMBL6526770 0.90 TACR3 (0.60) TACR3
SCHEMBL1442353 0.89 TACR3 (0.48) TACR3
SCHEMBL12789415 0.89 TACR3 (0.62) TACR3
SCHEMBL1441288 0.89 TACR3 (0.62) TACR3
SCHEMBL6860334 0.87 TACR3 (0.56) TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470524-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-07-24 EP claimed
US-8394834-B2 Pyrrolidines as NK3 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2013-03-12 US claimed
EP-2470524-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-07-04 EP claimed
US-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2011-03-03 US claimed
WO-2011023626-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO claimed
EP-2470524-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-07-24 EP disclosed
EP-2470524-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-07-24 EP disclosed
US-8394834-B2 Pyrrolidines as NK3 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2013-03-12 US disclosed
EP-2470524-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-07-04 EP disclosed
US-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
WO-2011023626-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO 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-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRL1 TACR3 46/4885

“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.