SCHEMBL326622

SCHEMBL326622

CC1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(-n3cccn3)nc2)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
SCHEMBL7690959 1.00 TACR3 (1.00) TACR3
SCHEMBL1393945 0.85 TACR3 (1.00) TACR3
SCHEMBL7687583 0.85 TACR3 (1.00) TACR3
SCHEMBL6837195 0.83 TACR3 (0.83) TACR3
SCHEMBL12505624 0.82 TACR3 (0.67) TACR3
SCHEMBL7688199 0.82 TACR3 (0.80) TACR3
SCHEMBL10026141 0.81 TACR3 (1.00) TACR3
SCHEMBL326693 0.81 TACR3 (1.00) TACR3
SCHEMBL327493 0.81 TACR3 (0.76) TACR3
SCHEMBL6836993 0.81 TACR3 (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
US-8507535-B2 Methyl-pyrrolidine ether derivatives HOFFMANN-LA ROCHE INC. (US) 2013-08-13 US 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.