SCHEMBL448059

SCHEMBL448059

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cc(NC(=O)c2cccnc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR3C1 P04150 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
RAB9A P51151 1/20 0.40
ACKR3 P25106 1/20 0.39

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
SCHEMBL445925 1.00 PTGES (0.43) PTGESPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL447629 0.92 MEN1 (0.41) PTGESPOLBMAPTMEN1KMT2A
SCHEMBL6222577 0.92 MEN1 (0.41) PTGESPOLBMAPTMEN1KMT2A
SCHEMBL450365 0.88 CHRNB1 (0.47) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL447621 0.88 CHRNB1 (0.47) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL447622 0.86 KDR (0.60)
SCHEMBL6104957 0.86 KDR (0.52) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL445860 0.82 MAPT (0.44) PTGESPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL6106787 0.82 MAPT (0.44) PTGESPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL445930 0.82 MAPT (0.44) PTGESPOLBMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
CN-1538836-A Substituted amine derivatives and method of use ������������� 2004-10-20 CN disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 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 (11 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PTGES 268/4885POLB 1312/4885MAPT 4084/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC PTGES 455/4885POLB 687/4885MAPT 4232/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PTGES 268/4885POLB 1312/4885MAPT 4084/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO PTGES 260/4885POLB 648/4885MAPT 4734/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO PTGES 295/4885POLB 655/4885MAPT 4726/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PTGES 268/4885POLB 1312/4885MAPT 4084/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 PTGES 414/4885POLB 591/4885MAPT 2262/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PTGES 268/4885POLB 1312/4885MAPT 4084/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 PTGES 414/4885POLB 591/4885MAPT 2262/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO PTGES 295/4885POLB 655/4885MAPT 4726/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 PTGES 515/4885POLB 1694/4885MAPT 3731/4885

“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.