SCHEMBL3300328

SCHEMBL3300328

CC(C)(C)OC(=O)N1CCC(O)(CN2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.39
CTSK P43235 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
RECQL P46063 1/20 0.38
USP19 O94966 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 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
SCHEMBL1935276 0.88 SMN1; SMN2 (0.43) HPGDUSP2SMN1; SMN2EPHX1EPHX2
SCHEMBL23250122 0.87 USP2 (0.42) HPGDUSP2SMN1; SMN2EPHX1MAPT
SCHEMBL22295579 0.87 USP2 (0.42) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL962538 0.87 USP2 (0.60) HPGDUSP2SMN1; SMN2EPHX2CHRM2
SCHEMBL19054670 0.87 HPGD (0.44) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL18693801 0.86 USP2 (0.41) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL18732639 0.85 USP2 (0.40) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL17606853 0.83 MEN1 (0.41) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL30258778 0.82 HPGD (0.41) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL30958179 0.81 CRBN (0.43) HPGDUSP2SMN1; SMN2ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-22 US disclosed
US-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-22 US disclosed
US-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-22 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
US-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
US-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
EP-2118092-A1 NEW N, N'- 2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-11-18 EP disclosed
EP-2111395-A1 NEW PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINES DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-10-28 EP disclosed
EP-2108016-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS Sanofi-Aventis (FR) 2009-10-14 EP disclosed
WO-2009056693-A1 NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 WO disclosed
WO-2008099074-A1 PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINE DERIVATIVES AS IKK INHIBITORS, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
WO-2008099074-A1 PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINE DERIVATIVES AS IKK INHIBITORS, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
WO-2008099075-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
WO-2008099075-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
WO-2008099073-A1 N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
WO-2008099073-A1 N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 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-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS CHUK, IKBKB, IKBKE HPGD 1964/4885USP2 1122/4885SMN1; SMN2 4169/4885
US-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS IKBKB, NFKBIA, IKBKE HPGD 2629/4885USP2 994/4885SMN1; SMN2 4038/4885
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS CHUK, IKBKB, IKBKE HPGD 1324/4885USP2 1292/4885SMN1; SMN2 2164/4885

“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.