SCHEMBL426762

SCHEMBL426762

Cc1ccc(C(C)(C)C)c(OCCN2CCCCC2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.83
L3MBTL1 Q9Y468 3/20 0.82
HTT P42858 2/20 0.82
SMN1; SMN2 Q16637 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
HSD17B10 Q99714 1/20 0.66
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.50
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49

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
SCHEMBL426740 0.86 L3MBTL1 (0.69) KDM4EL3MBTL1HTTSMN1; SMN2CYP1A2
SCHEMBL427937 0.85 KDM4E (0.62) KDM4EL3MBTL1HTTSMN1; SMN2CYP1A2
SCHEMBL448001 0.85 CYP1A2 (0.64) KDM4EL3MBTL1HTTSMN1; SMN2CYP1A2
SCHEMBL30339057 0.84 KDM4E (0.65) KDM4EL3MBTL1HTTSMN1; SMN2CYP1A2
SCHEMBL16643959 0.81 CYP2D6 (0.97) KDM4EL3MBTL1HTTCYP1A2CYP2D6
SCHEMBL10183563 0.81 CYP1A2 (0.63) KDM4EL3MBTL1HTTSMN1; SMN2CYP1A2
SCHEMBL447689 0.81 CYP2D6 (0.59) KDM4EL3MBTL1HTTSMN1; SMN2CYP1A2
SCHEMBL9912418 0.80 SMN1; SMN2 (0.74) KDM4EL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL12409045 0.80 SMN1; SMN2 (0.74) KDM4EL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL12218602 0.80 CYP2D6 (1.00) KDM4EL3MBTL1HTTCYP1A2CYP2D6

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 11 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-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP 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 KDM4E 1013/4885L3MBTL1 1828/4885HTT 1813/4885

“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.