SCHEMBL3772650

SCHEMBL3772650

CC(C)(C)OC(=O)N(CCl)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.36
RIPK1 Q13546 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
APP P05067 1/20 0.34
CPB2 Q96IY4 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
PAX8 Q06710 1/20 0.33
SSTR4 P31391 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL6715518 0.84 PTGIR (0.37) MT-CO2RIPK1LTB4R2HDAC1HDAC8
SCHEMBL3160941 0.83 MT-CO2 (0.38) MT-CO2RIPK1LTB4R2HDAC1HDAC8
SCHEMBL7239028 0.83 MLYCD (0.41) MT-CO2RIPK1LTB4R2HDAC1HDAC8
SCHEMBL3160825 0.82 TSHR (0.37) MT-CO2RIPK1LTB4R2HDAC1HDAC8
SCHEMBL14525393 0.79 F2 (0.40) MT-CO2PAX8SMN1; SMN2
SCHEMBL7235054 0.77 RXRA (0.35) LTB4R2HDAC1HDAC8HDAC6PAX8
SCHEMBL3428428 0.77 LTB4R2 (0.39) LTB4R2PTGIRPTGDRPAX8CES2
SCHEMBL12497490 0.76 ALDH1A1 (0.41) MT-CO2APPPTGIRSSTR4LMNA
SCHEMBL7235055 0.76 LTB4R2 (0.38) RIPK1LTB4R2PAX8KCNQ4KCNQ5
SCHEMBL12497672 0.75 MT-CO2 (0.40) MT-CO2APPPTGIRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 MT-CO2 3237/4885RIPK1 3826/4885LTB4R2 1407/4885

“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.