SCHEMBL444815

SCHEMBL444815

CN1CCC(COc2cc(N)ccc2C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
PDPK1 O15530 1/20 0.39
EGFR P00533 13/20 0.38
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HTR4 Q13639 1/20 0.37
FGFR1 P11362 3/20 0.36
FLT1 P17948 3/20 0.36
FLT4 P35916 3/20 0.36
KDR P35968 3/20 0.36
PDGFRB P09619 2/20 0.36
TEK Q02763 2/20 0.36
BMPR1B O00238 1/20 0.36
PLK4 O00444 1/20 0.36

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
SCHEMBL444846 0.87 HRH3 (0.41) HTR2AHTR7HTR6RBP4TTR
SCHEMBL426849 0.86 EGFR (0.45) HTR2AEGFRRBP4TTRFGFR1
SCHEMBL446531 0.86 RBP4 (0.41) HTR2AHTR7HTR6PDPK1EGFR
SCHEMBL4929495 0.82 NR1H2 (0.49) NR1H2RBP4TTR
SCHEMBL1655800 0.81 ACHE (0.48) EGFRRBP4TTRMETHRH3
SCHEMBL4368885 0.81 CHRNB4 (0.49) CHRNA4
SCHEMBL4368887 0.81 CHRNB4 (0.49) CHRNA4
SCHEMBL5420654 0.81 CHRNB4 (0.49) CHRNA4
SCHEMBL4371987 0.78 SRC (0.43) HTR2AHTR7HTR6EGFRHTR4
SCHEMBL21644468 0.78 PDPK1 (0.48) HTR2AHTR7HTR6PDPK1EGFR

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 34 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-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 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 (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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC NR1H2 862/4885HTR2A 634/4885HTR7 593/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885HTR2A 891/4885HTR7 660/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO NR1H2 587/4885HTR2A 747/4885HTR7 633/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NR1H2 375/4885HTR2A 575/4885HTR7 555/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885HTR2A 891/4885HTR7 660/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NR1H2 1340/4885HTR2A 938/4885HTR7 897/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 NR1H2 801/4885HTR2A 3685/4885HTR7 4124/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885HTR2A 891/4885HTR7 660/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NR1H2 1340/4885HTR2A 938/4885HTR7 897/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NR1H2 375/4885HTR2A 575/4885HTR7 555/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 NR1H2 330/4885HTR2A 571/4885HTR7 615/4885

“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.