SCHEMBL1604339

SCHEMBL1604339

CC[C@H]1C[C@@H](CO)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
SRC P12931 8/20 0.40
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL8244183 1.00 NR1H2 (0.50) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL1585055 1.00 NR1H2 (0.50) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL12808018 1.00 NR1H2 (0.50) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL12240671 0.91 NR1H2 (0.45) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL1710964 0.91 NR1H2 (0.56) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL19943157 0.87 NR1H2 (0.49) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL26430598 0.85 NR1H2 (0.44) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL21845527 0.85 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL21887306 0.85 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL21845181 0.85 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 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-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 NR1H2 160/4885SRC 2794/4885CHRM2 559/4885

“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.