SCHEMBL426723

SCHEMBL426723

Cc1ccc(C(C)(C)C)c(OCC2CCN(C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.52
EGFR P00533 2/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
RBP4 P02753 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
ABL2 P42684 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL426849 0.86 EGFR (0.45) HTTL3MBTL1KDM4EEGFRFGFR1
SCHEMBL446531 0.85 RBP4 (0.41) HTTL3MBTL1KDM4EEGFRRBP4
SCHEMBL446992 0.81 ACHE (0.51) HTTRBP4HRH3
SCHEMBL13861972 0.81 POLB (0.48) L3MBTL1KDM4EEGFRFGFR1FLT1
SCHEMBL3814357 0.81 EGFR (0.53) EGFRFGFR1FLT1FLT4KDR
SCHEMBL13419330 0.78 EGFR (0.53) HTTEGFRFGFR1FLT1FLT4
SCHEMBL2031770 0.78 EGFR (0.44) EGFRFGFR1FLT1FLT4KDR
SCHEMBL18374088 0.76 SYK (0.47) HTTL3MBTL1RBP4
SCHEMBL20804439 0.74 ALDH1A1 (0.51) HTTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL13861971 0.74 KDM4E (0.49) L3MBTL1KDM4EEGFRFGFR1FLT1

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 10 patents. 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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 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
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP 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 (1 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTT 1813/4885L3MBTL1 1828/4885KDM4E 1013/4885

“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.