SCHEMBL445308

SCHEMBL445308

CC(=O)Nc1cc(CCCN2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.51
BACE1 P56817 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49
TRPV4 Q9HBA0 6/20 0.48
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL447181 0.89 HRH3 (0.47) TRPV4SIGMAR1ALDH1A1
SCHEMBL7126767 0.81 HRH3 (0.41) TRPV4SIGMAR1ALDH1A1
SCHEMBL4970135 0.79 TRPV4 (0.51) EPHX2BACE1BACE2TRPV4KMT2A
SCHEMBL428020 0.78 SIGMAR1 (0.53) TRPV4KMT2ASIGMAR1ALDH1A1
SCHEMBL448398 0.78 ALDH1A1 (0.52) EPHX2TRPV4ALDH1A1
SCHEMBL11889621 0.78 EPHX2 (0.46) EPHX2TRPV4SIGMAR1
SCHEMBL445310 0.77 ALDH1A1 (0.60) EPHX2TRPV4ALDH1A1
SCHEMBL445309 0.77 KDM4E (0.51) EPHX2BACE1BACE2TRPV4
SCHEMBL24071083 0.77 TRPV4 (0.52) EPHX2TRPV4SIGMAR1
SCHEMBL447632 0.76 SIGMAR1 (0.50) EPHX2TRPV4KMT2ASIGMAR1ALDH1A1

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 53 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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP 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
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 (7 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 EPHX2 457/4885BACE1 2957/4885BACE2 3029/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO EPHX2 636/4885BACE1 2842/4885BACE2 3182/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR EPHX2 620/4885BACE1 2191/4885BACE2 2040/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 EPHX2 320/4885BACE1 2031/4885BACE2 2480/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR EPHX2 620/4885BACE1 2191/4885BACE2 2040/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 EPHX2 320/4885BACE1 2031/4885BACE2 2480/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO EPHX2 636/4885BACE1 2842/4885BACE2 3182/4885

“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.