SCHEMBL445317

SCHEMBL445317

O=[N+]([O-])c1ccc(C(F)(F)C(F)(F)F)c(OCC2CO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
DRD4 P21917 3/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 2/20 0.38
GLA P06280 1/20 0.38
HIF1A Q16665 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
VDR P11473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PNMT P11086 3/20 0.34
ADRA2A P08913 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL445316 1.00 PRMT5 (0.45) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL447971 1.00 PRMT5 (0.45) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL30729437 0.80 HTT (0.53) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL445361 0.80 CYP19A1 (0.45) CYP19A1HTTTDP1PNMTADRA2A
SCHEMBL11488932 0.79 PRMT5 (0.49) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL446389 0.79 ALDH1A1 (0.41) DRD4ALDH1A1PKMLMNAGAA
SCHEMBL446390 0.79 ALDH1A1 (0.41) DRD4ALDH1A1PKMLMNAGAA
SCHEMBL20786636 0.79 PRMT5 (0.49) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL447363 0.79 ALDH1A1 (0.41) DRD4ALDH1A1PKMLMNAGAA
SCHEMBL5963778 0.79 S1PR4 (0.52) PRMT5WDR77DRD4ALDH1A1PKM

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 48 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 PRMT5 617/4885WDR77 3722/4885DRD4 1108/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO PRMT5 501/4885WDR77 3397/4885DRD4 1354/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PRMT5 1187/4885WDR77 3816/4885DRD4 2093/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 PRMT5 202/4885WDR77 4106/4885DRD4 2000/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PRMT5 1187/4885WDR77 3816/4885DRD4 2093/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 PRMT5 202/4885WDR77 4106/4885DRD4 2000/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO PRMT5 501/4885WDR77 3397/4885DRD4 1354/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 PRMT5 207/4885WDR77 3350/4885DRD4 1588/4885

“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.