SCHEMBL4461016

SCHEMBL4461016

CC(OC1CN(C(=O)OC(C)(C)C)C(CO)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 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
SCHEMBL13954730 1.00 TACR1 (1.00) TACR1
SCHEMBL13934970 0.92 TACR1 (1.00) TACR1
SCHEMBL4469839 0.90 TACR1 (0.81) TACR1
SCHEMBL4457761 0.85 TACR1 (0.84) TACR1
SCHEMBL4465613 0.83 TACR1 (0.80) TACR1
SCHEMBL5327979 0.83 TACR1 (0.70) TACR1
SCHEMBL4459415 0.82 TACR1 (0.86) TACR1
SCHEMBL4458723 0.81 TACR1 (0.78) TACR1
SCHEMBL4461096 0.81 TACR1 (0.76) TACR1
SCHEMBL4460535 0.80 TACR1 (0.75) TACR1

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-20090286777-A1 5,6,Fused Pyrrolidine Compounds Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-11-19 US disclosed
US-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
EP-1978965-A2 HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-10-15 EP disclosed
WO-2007136570-A2 5,6-FUSED PYRROLIDINE COMPOUNDS USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
WO-2007087224-A2 HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-08-02 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 (2 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-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists TACR1, PROKR1, TACR2 TACR1 1/4885
US-20090286777-A1 5,6,Fused Pyrrolidine Compounds Useful as Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 TACR1 1/4885

“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.