SCHEMBL17577384

SCHEMBL17577384

CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.35
EPHX2 P34913 1/20 0.34
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
RORC P51449 2/20 0.30
KDM1A O60341 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BUB1 O43683 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
SCHEMBL29369805 0.89 CHRM2 (0.40) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3322128 0.85 CHRM2 (0.39) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL5153017 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL1924787 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL376697 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL6491588 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL77478 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL5203966 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL142226 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3949211 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CHRM2 4009/4885CHRM1 3345/4885CHRM3 3235/4885

“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.