SCHEMBL447689

SCHEMBL447689

CC(C)(C)c1ccc([N+](=O)[O-])cc1OCCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KDM4E B2RXH2 6/20 0.57
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LTA4H P09960 2/20 0.55
PTGS2 P35354 2/20 0.55
PTGS1 P23219 1/20 0.55
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL6217204 0.86 LTA4H (0.56) CYP2D6CYP1A2CYP2C19HSD17B10KDM4E
SCHEMBL447641 0.86 LTA4H (0.56) CYP2D6CYP1A2CYP2C19HSD17B10KDM4E
SCHEMBL445318 0.86 LTA4H (0.53) CYP2D6CYP1A2CYP2C19HSD17B10KDM4E
SCHEMBL27901550 0.85 HTT (0.57) CYP2D6KDM4EHTTL3MBTL1LTA4H
SCHEMBL4363192 0.84 LTA4H (0.54) CYP2D6CYP1A2CYP2C19HSD17B10KDM4E
SCHEMBL4192478 0.84 LTA4H (0.56) CYP2D6CYP1A2CYP2C19KDM4ELTA4H
SCHEMBL5476571 0.84 LTA4H (0.56) CYP2D6CYP1A2CYP2C19KDM4ELTA4H
SCHEMBL1929880 0.82 LTA4H (0.57) CYP2D6CYP1A2CYP2C19KDM4ELTA4H
SCHEMBL4022237 0.82 LTA4H (0.57) CYP2D6CYP1A2CYP2C19KDM4ELTA4H
SCHEMBL264564 0.82 LTA4H (0.57) CYP2D6CYP1A2CYP2C19KDM4ELTA4H

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US claimed
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
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 (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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP2D6 41/4885CYP1A2 36/4885CYP2C19 60/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CYP2D6 146/4885CYP1A2 85/4885CYP2C19 219/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP2D6 204/4885CYP1A2 106/4885CYP2C19 280/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP2D6 41/4885CYP1A2 36/4885CYP2C19 60/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP2D6 310/4885CYP1A2 149/4885CYP2C19 235/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP2D6 41/4885CYP1A2 36/4885CYP2C19 60/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP2D6 310/4885CYP1A2 149/4885CYP2C19 235/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP2D6 204/4885CYP1A2 106/4885CYP2C19 280/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CYP2D6 91/4885CYP1A2 24/4885CYP2C19 71/4885

“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.