SCHEMBL426740

SCHEMBL426740

Cc1ccc(C(C)(C)C)c(OCN2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.69
HTT P42858 2/20 0.69
KDM4E B2RXH2 7/20 0.66
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MCOLN3 Q8TDD5 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
ADRB2 P07550 1/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL426762 0.86 KDM4E (0.83) L3MBTL1HTTKDM4ECYP1A2CYP2D6
SCHEMBL13064444 0.74 L3MBTL1 (0.54) L3MBTL1HTTKDM4EHSD17B10SMN1; SMN2
SCHEMBL30339057 0.73 KDM4E (0.65) L3MBTL1HTTKDM4ECYP1A2CYP2D6
SCHEMBL17207217 0.73 L3MBTL1 (0.52) L3MBTL1HTTKDM4ECYP1A2CYP2C19
SCHEMBL427835 0.72 L3MBTL1 (0.56) L3MBTL1HTTKDM4ECYP1A2CYP2D6
SCHEMBL427937 0.71 KDM4E (0.62) L3MBTL1HTTKDM4ECYP1A2CYP2D6
SCHEMBL448001 0.70 CYP1A2 (0.64) L3MBTL1HTTKDM4ECYP1A2CYP2D6
SCHEMBL426723 0.70 HTT (0.54) L3MBTL1HTTKDM4EMRGPRX4MEN1
SCHEMBL2246552 0.70 L3MBTL1 (0.57) L3MBTL1HTTKDM4ECYP1A2CYP2C19
SCHEMBL14850363 0.70 L3MBTL1 (0.61) L3MBTL1HTTKDM4ECYP1A2CYP2C19

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 9 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

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 L3MBTL1 1828/4885HTT 1813/4885KDM4E 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.