SCHEMBL4462292

SCHEMBL4462292

CC1CC[C@H]2[C@H](c3ccc(F)cc3)[C@@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CN2C1=O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.78
NR1I2 O75469 1/20 0.78
KCNH2 Q12809 1/20 0.62

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
SCHEMBL13631127 0.90 TACR1 (0.84) TACR1NR1I2
SCHEMBL4459562 0.90 TACR1 (0.84) TACR1NR1I2
SCHEMBL13631128 0.88 TACR1 (0.74) TACR1NR1I2
SCHEMBL4464116 0.87 TACR1 (1.00) TACR1NR1I2KCNH2
SCHEMBL4464112 0.87 TACR1 (1.00) TACR1NR1I2KCNH2
SCHEMBL4458861 0.87 TACR1 (0.73) TACR1NR1I2
SCHEMBL4470525 0.87 TACR1 (0.91) TACR1NR1I2KCNH2
SCHEMBL4470330 0.87 TACR1 (0.91) TACR1NR1I2KCNH2
SCHEMBL4458307 0.85 TACR1 (0.69) TACR1NR1I2
SCHEMBL4471294 0.85 TACR1 (1.00) TACR1NR1I2

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 4 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-20090286777-A1 5,6,Fused Pyrrolidine Compounds Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-11-19 US disclosed
US-20090286777-A1 5,6,Fused Pyrrolidine Compounds Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-11-19 US disclosed
WO-2007136570-A2 5,6-FUSED PYRROLIDINE COMPOUNDS USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-29 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-20090286777-A1 5,6,Fused Pyrrolidine Compounds Useful as Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 TACR1 1/4885NR1I2 2873/4885KCNH2 109/4885

“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.