SCHEMBL4458157

SCHEMBL4458157

CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](O)[C@H](c2ccc(F)cc2)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.36
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 3/20 0.32
PRCP P42785 1/20 0.32
RBP4 P02753 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TACR3 P29371 2/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31

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
SCHEMBL4462269 0.90 RIPK1 (0.36) TACR1SLC6A3SLC6A4
SCHEMBL4459909 0.85 TACR1 (0.34) TACR1SLC6A3SLC6A4RBP4UBE2M
SCHEMBL20336686 0.78 PRCP (0.33) SLC6A3SLC6A4PRCP
SCHEMBL21874133 0.74 FKBP1A (0.31)
SCHEMBL4462143 0.74 RIPK1 (0.36) TACR1
SCHEMBL15951884 0.74 RIPK1 (0.36)
SCHEMBL4114777 0.74 ALDH1A1 (0.37) TACR1SLC6A3SLC6A4ALDH1A1TACR3
SCHEMBL3993930 0.74 ALDH1A1 (0.37) TACR1SLC6A3SLC6A4ALDH1A1TACR3
SCHEMBL3987952 0.74 ALDH1A1 (0.37) TACR1SLC6A3SLC6A4ALDH1A1TACR3
SCHEMBL4456493 0.73 TACR1 (0.46) TACR1UBE2MDCUN1D1

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-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 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-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists TACR1, PROKR1, TACR2 TACR1 1/4885SLC6A3 500/4885SLC6A4 835/4885

“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.