SCHEMBL427937

SCHEMBL427937

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
L3MBTL1 Q9Y468 5/20 0.62
HTT P42858 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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 0.85 KDM4E (0.83) KDM4EL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL4371676 0.83 LTA4H (0.48) KDM4EL3MBTL1HTTSMN1; SMN2TSHR
SCHEMBL445318 0.81 LTA4H (0.53) KDM4EHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL14453570 0.80 SMN1; SMN2 (0.66) KDM4EL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL4363192 0.79 LTA4H (0.54) KDM4EL3MBTL1HTTALDH1A1MEN1
SCHEMBL426816 0.78 ADRB2 (0.63) SMN1; SMN2ALDH1A1MEN1LMNAKMT2A
SCHEMBL18374004 0.78 SMN1; SMN2 (0.67) KDM4EL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL9912418 0.77 SMN1; SMN2 (0.74) KDM4EL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL12409045 0.77 SMN1; SMN2 (0.74) KDM4EL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL18010724 0.77 SMN1; SMN2 (0.74) KDM4EL3MBTL1HTTSMN1; SMN2ALDH1A1

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 6 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-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
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.