SCHEMBL427835

SCHEMBL427835

Cc1ccc(C(C)(C)C)c(CCN2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 3/20 0.53
HRH3 Q9Y5N1 6/20 0.50
HRH1 P35367 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 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
SCHEMBL427834 0.91 L3MBTL1 (0.60) L3MBTL1HTTKDM4EHRH3HRH1
SCHEMBL426762 0.75 KDM4E (0.83) L3MBTL1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL426714 0.75 HTT (0.52) L3MBTL1HTTKDM4EHRH3SMN1; SMN2
SCHEMBL446112 0.75 SIGMAR1 (0.50) L3MBTL1HTTKDM4EHRH3HRH1
SCHEMBL612629 0.74 HRH3 (0.47) L3MBTL1HTTKDM4EHRH3HRH1
SCHEMBL3143217 0.74 SIGMAR1 (0.48) L3MBTL1HTTKDM4EHRH3SIGMAR1
SCHEMBL14515814 0.73 HRH3 (0.49) L3MBTL1HTTKDM4EHRH3HRH1
SCHEMBL426740 0.72 L3MBTL1 (0.69) L3MBTL1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14426353 0.71 KDM4E (0.50) KDM4ESMN1; SMN2SIGMAR1ALDH1A1CYP2D6
SCHEMBL28861133 0.70 TYR (0.38) L3MBTL1HTTSMN1; SMN2ALDH1A1CYP2D6

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-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 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 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.