SCHEMBL327565

SCHEMBL327565

CC1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 1.00

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
SCHEMBL10026139 1.00 TACR3 (1.00) TACR3
SCHEMBL6837063 0.93 TACR3 (1.00) TACR3
SCHEMBL1393950 0.93 TACR3 (1.00) TACR3
SCHEMBL10026140 0.91 TACR3 (1.00) TACR3
SCHEMBL1393922 0.91 TACR3 (1.00) TACR3
SCHEMBL7688769 0.90 TACR3 (1.00) TACR3
SCHEMBL327311 0.90 TACR3 (1.00) TACR3
SCHEMBL1394625 0.88 TACR3 (1.00) TACR3
SCHEMBL6837267 0.88 TACR3 (1.00) TACR3
SCHEMBL7670985 0.88 TACR3 (0.91) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507535-B2 Methyl-pyrrolidine ether derivatives HOFFMANN-LA ROCHE INC. (US) 2013-08-13 US claimed
US-20120010212-A1 METHYL-PYRROLIDINE ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-12 US claimed
EP-2590963-B1 (3-METHYLPYRROLIDIN-3-YL)METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-12-03 EP disclosed
US-8507535-B2 Methyl-pyrrolidine ether derivatives HOFFMANN-LA ROCHE INC. (US) 2013-08-13 US disclosed
EP-2590963-A1 (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP disclosed
WO-2012004207-A1 (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010212-A1 METHYL-PYRROLIDINE ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-12 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-20120010212-A1 METHYL-PYRROLIDINE ETHER DERIVATIVES OPRM1, OPRK1, OPRD1 TACR3 102/4885

“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.