SCHEMBL4456493

SCHEMBL4456493

CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](c2ccc(F)cc2)[C@@H](OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.46
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL4564909 0.93 TACR1 (0.46) TACR1
SCHEMBL4474473 0.92 TACR1 (0.45) TACR1UBE2MDCUN1D1NR1I2
SCHEMBL4461341 0.85 TACR1 (0.66) TACR1NR1I2
SCHEMBL4459424 0.85 TACR1 (0.44) TACR1
SCHEMBL4459909 0.79 TACR1 (0.34) TACR1UBE2MDCUN1D1
SCHEMBL4458144 0.78 TACR1 (0.65) TACR1NR1I2
SCHEMBL5522705 0.73 TACR1 (0.44) TACR1NR1I2
SCHEMBL5527479 0.73 TACR1 (0.44) TACR1NR1I2
SCHEMBL4458157 0.73 TACR1 (0.36) TACR1UBE2MDCUN1D1
SCHEMBL4459415 0.70 TACR1 (0.86) 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-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 1/4885UBE2M 3628/4885DCUN1D1 948/4885

“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.