SCHEMBL4614946

SCHEMBL4614946

FC(F)(F)c1cc(CCNCCc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.55
SIGMAR1 Q99720 7/20 0.53
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46

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
SCHEMBL4614131 0.85 PLAAT3 (0.59) SIGMAR1GAAMAPTDRD2DRD4
SCHEMBL22579188 0.81 KDM4E (0.63) SIGMAR1GAAMAPTTP53CYP1A2
SCHEMBL19300959 0.80 SIGMAR1 (0.46) TACR1SIGMAR1
SCHEMBL8092954 0.78 SIGMAR1 (0.64) SIGMAR1DRD2OPRM1DRD3KCNH2
SCHEMBL283735 0.78 SIGMAR1 (0.81) SIGMAR1GAAMAPTKCNH2CYP1A2
SCHEMBL27312602 0.78 TACR1 (0.67) TACR1MAPT
SCHEMBL22495441 0.77 GAA (0.67) SIGMAR1GAAMAPTPLAAT3PLAAT5
Hydrochloric Acid SCHEMBL11847984 0.77 MEN1 (0.62) SIGMAR1GAAMAPTTP53CYP1A2
Hydrochloric Acid SCHEMBL5028920 0.76 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2CYP1A2
SCHEMBL8140699 0.76 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD TACR1 746/4885SIGMAR1 2549/4885GAA 828/4885

“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.