SCHEMBL450182

SCHEMBL450182

CC(C)(C)OC(=O)N1CCN(Cc2cc(NC(=O)c3cccnc3Cl)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
NTRK3 Q16288 7/20 0.48
NTRK1 P04629 5/20 0.48
NTRK2 Q16620 5/20 0.48
ACKR3 P25106 3/20 0.47
DDR1 Q08345 4/20 0.44
DDR2 Q16832 4/20 0.44
KIT P10721 2/20 0.44
KDR P35968 2/20 0.43
BRAF P15056 1/20 0.43
ABL1 P00519 1/20 0.43
NR3C1 P04150 1/20 0.42

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
SCHEMBL445150 0.91 RXFP1 (0.52) POLBRXFP1NTRK3NTRK1NTRK2
SCHEMBL447227 0.87 NTRK3 (0.60) NTRK3NTRK1NTRK2DDR1DDR2
SCHEMBL446682 0.85 KDR (0.65) RXFP1DDR1KITKDRBRAF
SCHEMBL446786 0.82 KDR (0.53) RXFP1NTRK3NTRK1NTRK2ACKR3
SCHEMBL3892620 0.81 KDR (0.51) RXFP1NTRK3NTRK1NTRK2DDR2
SCHEMBL6288233 0.81 POLB (0.51) POLBRXFP1KDRBRAFNR3C1
SCHEMBL444971 0.81 POLB (0.51) POLBRXFP1KDRBRAFNR3C1
SCHEMBL20684900 0.81 ACKR3 (0.56) POLBRXFP1ACKR3KDRNR3C1
SCHEMBL1655777 0.80 RXFP1 (0.49) POLBRXFP1ACKR3
SCHEMBL1655774 0.80 RXFP1 (0.44) POLBRXFP1ACKR3KDR

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 45 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-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP 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-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO 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 (9 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 POLB 687/4885RXFP1 1565/4885NTRK3 1720/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO POLB 648/4885RXFP1 1951/4885NTRK3 1743/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO POLB 655/4885RXFP1 1784/4885NTRK3 1764/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR POLB 1312/4885RXFP1 1658/4885NTRK3 1528/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 POLB 591/4885RXFP1 1699/4885NTRK3 1780/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR POLB 1312/4885RXFP1 1658/4885NTRK3 1528/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 POLB 591/4885RXFP1 1699/4885NTRK3 1780/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO POLB 655/4885RXFP1 1784/4885NTRK3 1764/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 POLB 1694/4885RXFP1 360/4885NTRK3 1139/4885

“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.