SCHEMBL4765266

SCHEMBL4765266

Cc1nc2c(cc1C(F)(F)F)N(C(=O)OC(C)C)CCCC2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.35
HTR2A P28223 6/20 0.35
HTR2B P41595 4/20 0.35
IDO1 P14902 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ABHD6 Q9BV23 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
SCN9A Q15858 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 2/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL4768487 0.86 MPO (0.37) HTR2CHTR2AHTR2BKDM4EPDK1
SCHEMBL2474244 0.80 KDM4E (0.34) HTR2CHTR2AHTR2BIDO1KDM4E
SCHEMBL4774567 0.75 KDM4E (0.34) IDO1KDM4EKCNH2MEN1ALDH1A1
SCHEMBL4768474 0.75 KDM4E (0.37) IDO1KDM4ESCN9ASCN10AKCNH2
SCHEMBL4773023 0.74 KDM4E (0.39) IDO1KDM4ESCN9ASCN10AKCNH2
SCHEMBL4768298 0.72 SMN1; SMN2 (0.35) HTR2CHTR2AIDO1KDM4ESMN1; SMN2
SCHEMBL6034902 0.70 IDO1 (0.48) IDO1KDM4EABHD6SMN1; SMN2KCNH2
SCHEMBL14145711 0.70 CETP (0.38) KCNH2
SCHEMBL11888090 0.70 KDM4E (0.39) KDM4ESCN9ASCN10AMEN1USP2
SCHEMBL7832103 0.69 NOTUM (0.57) HTR2CHTR2AKDM4EABHD6PDK1

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
EP-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 EP disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
EP-1732933-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-12-20 EP disclosed
WO-2005097805-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-10-20 WO 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-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA PCSK9, LIPC, APOB HTR2C 3883/4885HTR2A 2241/4885HTR2B 2334/4885

“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.