SCHEMBL1333253

SCHEMBL1333253

CC1CCC(Nc2ncc(-c3ccc(OC(F)F)cc3)c(OCC3CCOC3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
MAPK1 P28482 5/20 0.39
GRM5 P41594 2/20 0.37
CNR1 P21554 1/20 0.36
XDH P47989 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
GALR2 O43603 1/20 0.34
GALR1 P47211 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL1333255 1.00 CNR2 (0.40) CNR2MAPK1GRM5CNR1XDH
SCHEMBL1030099 0.92 IRAK4 (0.40) CNR2MAPK1GRM5CNR1XDH
SCHEMBL1030097 0.92 IRAK4 (0.40) CNR2MAPK1GRM5CNR1XDH
SCHEMBL1332906 0.91 GRM5 (0.41) CNR2MAPK1GRM5GALR2GALR1
SCHEMBL1332908 0.91 GRM5 (0.41) CNR2MAPK1GRM5GALR2GALR1
SCHEMBL1334039 0.88 MAPK1 (0.41) CNR2MAPK1GRM5PIK3C3IRAK4
SCHEMBL12955864 0.88 MAPK1 (0.41) CNR2MAPK1GRM5PIK3C3IRAK4
SCHEMBL1334037 0.88 MAPK1 (0.41) CNR2MAPK1GRM5PIK3C3IRAK4
SCHEMBL1033715 0.86 CNR2 (0.39) CNR2MAPK1GRM5GALR2GALR1
SCHEMBL1334443 0.86 CNR2 (0.39) CNR2MAPK1GRM5GALR2GALR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CYSTIC FIBROSIS FOUNDATION 2011-11-17 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-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS CNR2 836/4885MAPK1 4410/4885GRM5 2764/4885

“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.