SCHEMBL2117772

SCHEMBL2117772

CC(C)(C)OC(=O)N1C[C@H]2CC(Oc3cccc(Br)c3)C[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MGLL Q99685 3/20 0.44
USP30 Q70CQ3 3/20 0.43
FAAH O00519 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
RORC P51449 2/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2112991 1.00 NR1H2 (0.46) NR1H2SLC6A2SLC6A4SLC6A3MGLL
SCHEMBL2275445 0.90 USP30 (0.51) SLC6A2SLC6A4SLC6A3USP30GPR119
SCHEMBL22031700 0.85 NR1H2 (0.50) NR1H2USP30JAK2JAK1GPR119
SCHEMBL15637939 0.84 USP30 (0.55) USP30GPR119
SCHEMBL29577158 0.84 USP30 (0.55) USP30GPR119
SCHEMBL30740748 0.83 GPR119 (0.55) USP30GPR119
SCHEMBL1364255 0.83 GPR119 (0.55) USP30GPR119
SCHEMBL16242384 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MGLLFAAH
SCHEMBL15640904 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MGLLFAAH
SCHEMBL15640905 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MGLLFAAH

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-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 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-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 NR1H2 997/4885SLC6A2 1817/4885SLC6A4 3490/4885

“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.