SCHEMBL875047

SCHEMBL875047

C[C@@H]1[C@@H](O)CN(C(=O)OC(C)(C)C)[C@]1(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 1/20 0.34
RORC P51449 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL2119472 1.00 CHRM2 (0.36) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL2493223 0.86 CHRM2 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL2498342 0.86 CHRM2 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL2121652 0.77 PPM1D (0.32) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL25347682 0.74 CHRM2 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL28735688 0.74 CHRM2 (0.41) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL29519744 0.74 CHRM2 (0.41) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL6488112 0.72 EPHX1 (0.35) CHRM2CHRM1CHRM3NR1H2RORC
SCHEMBL8990002 0.72 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2RORC
SCHEMBL28626040 0.72 NR1H2 (0.39) CHRM2CHRM1CHRM3USP2SMN1; SMN2

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP CHRM2 4758/4885CHRM1 4719/4885CHRM3 4760/4885

“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.