SCHEMBL3243612

SCHEMBL3243612

CC1CC(OS(C)(=O)=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HSD11B1 P28845 1/20 0.38
NR1H2 P55055 4/20 0.36
PIK3CD O00329 1/20 0.36
TSHR P16473 1/20 0.35
NR1H3 Q13133 2/20 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
SCHEMBL9386815 1.00 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL8064199 1.00 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL8806728 1.00 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL376575 1.00 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL15836693 0.87 GPR119 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL2536245 0.86 CHRM2 (0.40) GPR119CHRM2CHRM1CHRM3
SCHEMBL2544292 0.86 CHRM2 (0.40) GPR119CHRM2CHRM1CHRM3
SCHEMBL16059514 0.86 CHRM2 (0.40) GPR119CHRM2CHRM1CHRM3
SCHEMBL1549880 0.86 CHRM2 (0.40) GPR119CHRM2CHRM1CHRM3
SCHEMBL16729598 0.86 CHRM2 (0.40) GPR119CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 US disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 WO 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 (3 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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA GPR119 2539/4885CHRM2 2573/4885CHRM1 2170/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA GPR119 2321/4885CHRM2 2484/4885CHRM1 1759/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA GPR119 2321/4885CHRM2 2484/4885CHRM1 1759/4885

“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.