SCHEMBL408307

SCHEMBL408307

CC(C)(C)OC(=O)N1CCC(C)(C(=O)NN)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC1 Q13547 1/20 0.42
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL20224840 0.86 USP2 (0.45) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL17848750 0.86 USP2 (0.47) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL23539292 0.84 USP2 (0.46) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL27096725 0.83 USP2 (0.45) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL29215402 0.82 USP2 (0.39) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL346481 0.82 USP2 (0.50) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL25223577 0.82 TSHR (0.48) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL2420832 0.81 USP2 (0.49) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL17848478 0.81 EPHX1 (0.55) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL28990137 0.80 USP2 (0.51) USP2SMN1; SMN2EPHX2TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788086-B1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-10-12 EP disclosed
EP-2788086-B1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-10-12 EP disclosed
EP-2788086-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS Boehringer Ingelheim International GmbH (DE) 2014-10-15 EP disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
WO-2013083591-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
WO-2013083591-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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 (2 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-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 USP2 3123/4885SMN1; SMN2 2379/4885EPHX2 2464/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT USP2 4053/4885SMN1; SMN2 2301/4885EPHX2 1660/4885

“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.