SCHEMBL445608

SCHEMBL445608

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
STS P08842 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GPR119 Q8TDV5 2/20 0.45
HDAC4 P56524 1/20 0.45
MET P08581 1/20 0.45
HIF1A Q16665 1/20 0.44
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4935101 0.84 L3MBTL1 (0.75) L3MBTL1ALDH1A1HIF1ANPC1RXFP1
SCHEMBL30080693 0.84 L3MBTL1 (0.75) L3MBTL1ALDH1A1HIF1ANPC1RXFP1
SCHEMBL27686940 0.84 L3MBTL1 (0.51) L3MBTL1MAPTLMNAALDH1A1MEN1
SCHEMBL4936433 0.83 RXFP1 (0.57) L3MBTL1MAPTLMNAALDH1A1MEN1
SCHEMBL30584232 0.83 L3MBTL1 (0.56) L3MBTL1MAPTLMNAALDH1A1MEN1
SCHEMBL29084588 0.83 L3MBTL1 (0.56) L3MBTL1MAPTLMNAALDH1A1MEN1
SCHEMBL3167279 0.82 HPGD (0.57) L3MBTL1MAPTLMNAALDH1A1MEN1
SCHEMBL3176208 0.81 L3MBTL1 (0.55) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL4936465 0.81 L3MBTL1 (0.55) L3MBTL1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL1657753 0.81 CYP2D6 (0.52) L3MBTL1MAPTLMNAALDH1A1MET

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 56 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
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 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 L3MBTL1 2156/4885MAPT 4734/4885LMNA 1574/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO L3MBTL1 1828/4885MAPT 4726/4885LMNA 1409/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR L3MBTL1 1533/4885MAPT 4084/4885LMNA 2597/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 L3MBTL1 2529/4885MAPT 2262/4885LMNA 2403/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR L3MBTL1 1533/4885MAPT 4084/4885LMNA 2597/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 L3MBTL1 2529/4885MAPT 2262/4885LMNA 2403/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO L3MBTL1 1828/4885MAPT 4726/4885LMNA 1409/4885

“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.