SCHEMBL445860

SCHEMBL445860

CC(C)(C)OC(=O)N1CCC[C@H]1COc1cc(NC(=O)c2cccnc2Cl)ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
PTGES O14684 2/20 0.41
KDR P35968 1/20 0.41
RAB9A P51151 1/20 0.40
ACKR3 P25106 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
LMNA P02545 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
SCHEMBL445930 1.00 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1POLBGAA
SCHEMBL6106787 1.00 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4968114 0.92 KDR (0.41) PTGESKDRACKR3ALOX5APFEN1
SCHEMBL4968107 0.92 KDR (0.41) PTGESKDRACKR3ALOX5APFEN1
SCHEMBL7159530 0.86 KDR (0.49) KDR
SCHEMBL446808 0.86 KDR (0.49) KDR
SCHEMBL444629 0.86 KDR (0.49) KDR
SCHEMBL6105874 0.86 KDR (0.42) MAPTALDH1A1GAAKDRKDM4E
SCHEMBL6104364 0.86 KDR (0.42) MAPTALDH1A1GAAKDRKDM4E
SCHEMBL448120 0.85 ALOX5AP (0.40) POLBPTGESALOX5APFEN1TRPV1

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 32 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-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US 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
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP 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
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (10 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC MAPT 4232/4885SMN1; SMN2 1447/4885ALDH1A1 389/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885SMN1; SMN2 2424/4885ALDH1A1 178/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO MAPT 4734/4885SMN1; SMN2 2090/4885ALDH1A1 261/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885SMN1; SMN2 1829/4885ALDH1A1 327/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885SMN1; SMN2 2424/4885ALDH1A1 178/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885SMN1; SMN2 1788/4885ALDH1A1 192/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885SMN1; SMN2 2424/4885ALDH1A1 178/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885SMN1; SMN2 1788/4885ALDH1A1 192/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885SMN1; SMN2 1829/4885ALDH1A1 327/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAPT 3731/4885SMN1; SMN2 2577/4885ALDH1A1 104/4885

“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.