SCHEMBL447435

SCHEMBL447435

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR119 Q8TDV5 3/20 0.48
HDAC4 P56524 1/20 0.48
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 3/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
TACR1 P25103 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.43
CYP2C9 P11712 2/20 0.42
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL27798087 0.83 HIF1A (0.45) MEN1KMT2AHIF1AKDM4EUSP2
SCHEMBL1265003 0.83 HIF1A (0.63) MEN1KMT2AHIF1AKDM4EUSP2
SCHEMBL20567850 0.82 MAPT (0.48) STSGPR119MAPTTACR1NR1H2
SCHEMBL4929358 0.81 KDM4E (0.65) MEN1KMT2AHIF1AKDM4EUSP2
SCHEMBL13243072 0.81 KDM4E (0.70) MEN1KMT2AHIF1AKDM4EUSP2
SCHEMBL445608 0.81 L3MBTL1 (0.53) STSMEN1KMT2AGPR119HDAC4
SCHEMBL15567728 0.81 POLB (0.65) MEN1KMT2AGPR119HDAC4POLB
SCHEMBL15566425 0.80 MEN1 (0.65) MEN1KMT2AGPR119HDAC4MAPT
SCHEMBL447202 0.80 CYP2D6 (0.53) STSMAPTUSP2TSHRCYP3A4
SCHEMBL3172689 0.80 TSHR (0.49) MEN1KMT2AHIF1AKDM4EUSP2

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 57 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
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
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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR STS 290/4885MEN1 2237/4885KMT2A 1457/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO STS 681/4885MEN1 1464/4885KMT2A 1313/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO STS 1000/4885MEN1 1584/4885KMT2A 1046/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR STS 290/4885MEN1 2237/4885KMT2A 1457/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 STS 673/4885MEN1 664/4885KMT2A 1259/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR STS 290/4885MEN1 2237/4885KMT2A 1457/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 STS 673/4885MEN1 664/4885KMT2A 1259/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO STS 1000/4885MEN1 1584/4885KMT2A 1046/4885

“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.