SCHEMBL446504

SCHEMBL446504

CC(C)(C)OC(=O)N1CCC(CN2CC(C)(C)c3ccc(NC(=O)c4cccnc4F)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.42
THRB P10828 1/20 0.41
MAPT P10636 9/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
CNR1 P21554 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 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
SCHEMBL445720 0.88 HTR1F (0.40) MAPT
SCHEMBL450183 0.86 KDR (0.54)
SCHEMBL446414 0.83 KDR (0.44) FPR2
SCHEMBL446007 0.81 KDR (0.40) THRBMAPTPOLBTP53LMNA
SCHEMBL445073 0.79 NR1H2 (0.41) THRBMAPTPOLBNPC1RAB9A
SCHEMBL6104801 0.78 KDR (0.47) MAPTPOLBTP53LMNAKDM4E
SCHEMBL14424531 0.77 CIT (0.44) MAPT
SCHEMBL11987630 0.77 KDR (0.42) MAPTKDM4E
SCHEMBL447837 0.76 FNTA (0.37) MAPTKDM4E
SCHEMBL444980 0.76 NR1H2 (0.45) FPR2GPR119KDM4EPKM

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 37 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-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-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-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 FPR2 1451/4885THRB 2020/4885MAPT 4232/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR FPR2 744/4885THRB 1734/4885MAPT 4084/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO FPR2 1157/4885THRB 2634/4885MAPT 4734/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO FPR2 1167/4885THRB 2265/4885MAPT 4726/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 FPR2 1956/4885THRB 2056/4885MAPT 2262/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR FPR2 744/4885THRB 1734/4885MAPT 4084/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 FPR2 1956/4885THRB 2056/4885MAPT 2262/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO FPR2 1167/4885THRB 2265/4885MAPT 4726/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 FPR2 540/4885THRB 1084/4885MAPT 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.