SCHEMBL4094526

SCHEMBL4094526

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CCR2 P41597 4/20 0.42
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
PARP1 P09874 1/20 0.40
NR1H2 P55055 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HDAC1 Q13547 1/20 0.38
AR P10275 1/20 0.37
SPR P35270 1/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PREP P48147 1/20 0.34

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
SCHEMBL5981386 1.00 HSD11B1 (0.49) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL16317835 0.85 TSHR (0.44) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL29333694 0.83 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL30365145 0.83 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL21577700 0.83 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL1197096 0.83 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL24402946 0.81 HSD11B1 (0.50) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL18701744 0.81 HSD11B1 (0.50) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL10061478 0.81 HSD11B1 (0.50) HSD11B1CHRM2CHRM1CHRM3CCR2
SCHEMBL10201870 0.81 HSD11B1 (0.50) HSD11B1CHRM2CHRM1CHRM3CCR2

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-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HSD11B1 1378/4885CHRM2 642/4885CHRM1 468/4885

“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.