SCHEMBL447646

SCHEMBL447646

C[CH]C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.53
EPHX1 P07099 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR119 Q8TDV5 8/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL25528906 0.86 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL227336 0.86 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL4402979 0.84 HPGD (0.54) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL16142409 0.84 HPGD (0.54) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL741520 0.83 EPHX1 (0.54) HPGDRECQLEPHX1USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL27912903 0.83 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL23104490 0.81 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL1106553 0.81 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL21551199 0.81 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL21551201 0.81 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP claimed
JP-4392348-B2 2009-12-24 JP claimed
JP-4338974-B2 2009-10-07 JP claimed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US claimed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US claimed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP claimed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US claimed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP claimed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US claimed
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 US claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP claimed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US claimed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US claimed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO claimed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HPGD 84/4885RECQL 1070/4885EPHX1 288/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HPGD 116/4885RECQL 1469/4885EPHX1 386/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HPGD 99/4885RECQL 1307/4885EPHX1 222/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HPGD 116/4885RECQL 1469/4885EPHX1 386/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HPGD 99/4885RECQL 1307/4885EPHX1 222/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 HPGD 250/4885RECQL 696/4885EPHX1 291/4885

“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.