SCHEMBL2354523

SCHEMBL2354523

CC(C)(C)OC(=O)N1C[C@@H](CN)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.36
HCRTR2 O43614 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
NAMPT P43490 1/20 0.32
RORC P51449 1/20 0.31
RECQL P46063 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H3 Q13133 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL2349092 1.00 NR1H2 (0.36) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL2349096 1.00 NR1H2 (0.36) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL24658818 0.87 NR1H2 (0.43) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL21757745 0.87 NR1H2 (0.37) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL7950544 0.87 NR1H2 (0.43) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL12767483 0.86 NR1H2 (0.35) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL18990533 0.85 NR1H2 (0.36) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL22298828 0.80 SPHK1 (0.33) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL26532045 0.78 USP2 (0.38) NR1H2HCRTR2USP2SMN1; SMN2SPHK1
SCHEMBL24092268 0.78 USP2 (0.38) NR1H2HCRTR2USP2SMN1; SMN2SPHK1

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-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 NR1H2 454/4885HCRTR2 3818/4885USP2 3822/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 NR1H2 249/4885HCRTR2 2954/4885USP2 3702/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 NR1H2 249/4885HCRTR2 2954/4885USP2 3702/4885

“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.