SCHEMBL445310

SCHEMBL445310

CC(=O)Nc1cc(C(F)(F)F)ccc1CCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EPHX2 P34913 7/20 0.50
TRPV4 Q9HBA0 5/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
CD274 Q9NZQ7 1/20 0.46

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
SCHEMBL445309 0.80 KDM4E (0.51) EPHX2TRPV4
SCHEMBL445308 0.77 EPHX2 (0.51) ALDH1A1EPHX2TRPV4
SCHEMBL1813423 0.76 ALDH1A1 (1.00) ALDH1A1POLBL3MBTL1LMNASMN1; SMN2
SCHEMBL17681595 0.74 CYP2C19 (0.65) ALDH1A1
SCHEMBL29085138 0.72 CYP2C19 (0.55) ALDH1A1
SCHEMBL14006254 0.69 CA1 (0.66) EPHX2LMNA
SCHEMBL30137501 0.69 SMN1; SMN2 (0.54) ALDH1A1POLBL3MBTL1LMNASMN1; SMN2
SCHEMBL6555370 0.69 LMNA (0.44) ALDH1A1LMNA
SCHEMBL996522 0.69 CYP1A2 (0.58) ALDH1A1POLBSMN1; SMN2
SCHEMBL13242896 0.69 LMNA (0.56) ALDH1A1POLBL3MBTL1EPHX2LMNA

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 ALDH1A1 261/4885POLB 648/4885L3MBTL1 2156/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885POLB 655/4885L3MBTL1 1828/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885POLB 1312/4885L3MBTL1 1533/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885POLB 591/4885L3MBTL1 2529/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885POLB 1312/4885L3MBTL1 1533/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885POLB 591/4885L3MBTL1 2529/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885POLB 655/4885L3MBTL1 1828/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 ALDH1A1 104/4885POLB 1694/4885L3MBTL1 2679/4885

“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.