SCHEMBL8360404

SCHEMBL8360404

CC(C)(C)OC(=O)N1C[C@H]2C([C@H]1CO)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
TACR1 P25103 6/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL9908998 1.00 NR1H2 (0.43) NR1H2TACR1MEN1KMT2ACHRM2
SCHEMBL12691441 0.92 NR1H2 (0.40) NR1H2TACR1MEN1KMT2A
SCHEMBL4405469 0.90 NR1H2 (0.40) NR1H2TACR1MEN1KMT2A
SCHEMBL30484634 0.87 NR1H2 (0.42) NR1H2TACR1MEN1KMT2ACHRM2
SCHEMBL30484632 0.87 NR1H2 (0.42) NR1H2TACR1MEN1KMT2ACHRM2
SCHEMBL13305539 0.85 BRD4 (0.34) NR1H2CHRM2CHRM1CHRM3DDB1
SCHEMBL24909178 0.84 NR1H2 (0.42) NR1H2TACR1MEN1KMT2ACHRM2
SCHEMBL12691702 0.82 NR1H2 (0.33) NR1H2TACR1MEN1KMT2ACHRM2
SCHEMBL14870488 0.81 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3
SCHEMBL4308762 0.81 CHRM2 (0.38) NR1H2CHRM2CHRM1CHRM3

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-20100324060-A1 PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2010-12-23 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-20100324060-A1 PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HCV HAVCR2, LIPC, CPT1A NR1H2 50/4885TACR1 467/4885MEN1 3746/4885

“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.