SCHEMBL12609677

SCHEMBL12609677

CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Br)cc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.50
EPHA2 P29317 2/20 0.43
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
DPP4 P27487 1/20 0.39
RORC P51449 2/20 0.38
PDE2A O00408 2/20 0.38
BACE1 P56817 1/20 0.38
TRPV3 Q8NET8 1/20 0.37

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
SCHEMBL12609945 1.00 USP30 (0.50) USP30EPHA2USP2SMN1; SMN2GPR119
SCHEMBL30382351 1.00 USP30 (0.50) USP30EPHA2USP2SMN1; SMN2GPR119
SCHEMBL12609675 1.00 USP30 (0.50) USP30EPHA2USP2SMN1; SMN2GPR119
SCHEMBL7034848 0.89 SMN1; SMN2 (0.45) USP30USP2SMN1; SMN2GPR119
SCHEMBL12609869 0.87 NR1H2 (0.46) USP30USP2SMN1; SMN2GPR119DPP4
SCHEMBL12610149 0.87 EPHA2 (0.43) USP30EPHA2USP2SMN1; SMN2RORC
SCHEMBL12610113 0.87 EPHA2 (0.43) USP30EPHA2USP2SMN1; SMN2RORC
SCHEMBL12609865 0.87 NR1H2 (0.46) USP30USP2SMN1; SMN2GPR119DPP4
SCHEMBL14150500 0.87 NR1H2 (0.46) USP30USP2SMN1; SMN2GPR119DPP4
SCHEMBL12610112 0.87 EPHA2 (0.43) USP30EPHA2USP2SMN1; SMN2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688870-B1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-02-01 EP disclosed
US-20160272626-A1 PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-09-22 US disclosed
EP-2917211-A1 PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-09-16 EP disclosed
EP-2718271-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-12 EP disclosed
US-9029370-B2 Substituted benzamide derivatives HOFFMANN-LA ROCHE INC. (US) 2015-05-12 US disclosed
US-8802673-B2 Heterocyclic amine derivatives Hoffmann-La Roche Inc (US) 2014-08-12 US disclosed
WO-2014072257-A1 PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-15 WO disclosed
EP-2718271-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
EP-2688870-A1 HETEROCYCLIC AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 EP disclosed
WO-2012168265-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-12-13 US disclosed
WO-2012126922-A1 HETEROCYCLIC AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
US-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-09-27 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 (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-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES TAAR1, TAAR5, MTNR1A USP30 4358/4885EPHA2 987/4885USP2 4753/4885
US-20160272626-A1 PYRAZINE DERIVATIVES HCRTR2, PER2, HCRTR1 USP30 4302/4885EPHA2 3486/4885USP2 4263/4885
US-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES NPY4R, PER2, NPY1R USP30 4247/4885EPHA2 3596/4885USP2 4711/4885

“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.