SCHEMBL4461022

SCHEMBL4461022

C[C@@H](O[C@H]1CN2C(=O)CC(=O)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.76
NR1I2 O75469 1/20 0.76

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
SCHEMBL13638143 1.00 TACR1 (0.76) TACR1NR1I2
SCHEMBL13631186 1.00 TACR1 (0.76) TACR1NR1I2
SCHEMBL13631260 1.00 TACR1 (0.76) TACR1NR1I2
SCHEMBL4465480 0.87 TACR1 (0.74) TACR1NR1I2
SCHEMBL4465478 0.87 TACR1 (0.74) TACR1NR1I2
SCHEMBL4464116 0.86 TACR1 (1.00) TACR1NR1I2
SCHEMBL4464112 0.86 TACR1 (1.00) TACR1NR1I2
SCHEMBL13631264 0.86 TACR1 (0.80) TACR1NR1I2
SCHEMBL4456711 0.86 TACR1 (0.80) TACR1NR1I2
SCHEMBL13638007 0.86 TACR1 (0.80) 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 1 patent. 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

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 2873/4885

“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.