SCHEMBL446503

SCHEMBL446503

CC(C)(C)OC(=O)N1CCC(Oc2cc(NC(=O)c3cccnc3F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
BRAF P15056 3/20 0.46
KDR P35968 3/20 0.46
NR3C1 P04150 1/20 0.44
CSF1R P07333 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
STS P08842 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL7119747 0.96 POLB (0.47) POLBMAPTRXFP1BRAFKDR
SCHEMBL6288233 0.91 POLB (0.51) POLBMAPTRXFP1BRAFKDR
SCHEMBL444971 0.91 POLB (0.51) POLBMAPTRXFP1BRAFKDR
SCHEMBL447394 0.84 RXFP1 (0.44) POLBMAPTRXFP1BRAFKDR
SCHEMBL6226395 0.83 KDR (0.48) POLBMAPTRXFP1BRAFKDR
SCHEMBL447926 0.83 POLB (0.50) POLBMAPTRXFP1KDRNR3C1
SCHEMBL5339573 0.83 MAPT (0.40) POLBMAPTRXFP1BRAFKDR
SCHEMBL449953 0.82 KDR (0.51) POLBMAPTRXFP1BRAFKDR
SCHEMBL6899965 0.82 POLB (0.49) POLBMAPTRXFP1NR3C1GPR119
SCHEMBL445150 0.81 RXFP1 (0.52) POLBMAPTRXFP1BRAFKDR

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 44 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
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-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO 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 (8 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 POLB 648/4885MAPT 4734/4885RXFP1 1951/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO POLB 655/4885MAPT 4726/4885RXFP1 1784/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR POLB 1312/4885MAPT 4084/4885RXFP1 1658/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 POLB 591/4885MAPT 2262/4885RXFP1 1699/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR POLB 1312/4885MAPT 4084/4885RXFP1 1658/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 POLB 591/4885MAPT 2262/4885RXFP1 1699/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO POLB 655/4885MAPT 4726/4885RXFP1 1784/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 POLB 1694/4885MAPT 3731/4885RXFP1 360/4885

“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.