SCHEMBL1033718

SCHEMBL1033718

C[C@H]1CC[C@H](Nc2ncc(-c3ccc(OC(F)F)cc3)c(O[C@H]3CCOC3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
MAPK1 P28482 7/20 0.39
GRM5 P41594 2/20 0.38
GPR6 P46095 2/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
GALR2 O43603 1/20 0.35
GALR1 P47211 1/20 0.35
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 1/20 0.34
PDE4D Q08499 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL1334444 1.00 CNR2 (0.39) CNR2MAPK1GRM5GPR6PDE1A
SCHEMBL1334443 1.00 CNR2 (0.39) CNR2MAPK1GRM5GPR6PDE1A
SCHEMBL1033715 1.00 CNR2 (0.39) CNR2MAPK1GRM5GPR6PDE1A
SCHEMBL1033719 1.00 CNR2 (0.39) CNR2MAPK1GRM5GPR6PDE1A
SCHEMBL1032648 0.92 MAPK1 (0.39) CNR2MAPK1GRM5MAPK8MAPK9
SCHEMBL1032650 0.92 MAPK1 (0.39) CNR2MAPK1GRM5MAPK8MAPK9
SCHEMBL1332253 0.92 MAPK1 (0.39) CNR2MAPK1GRM5MAPK8MAPK9
SCHEMBL1032647 0.92 MAPK1 (0.39) CNR2MAPK1GRM5MAPK8MAPK9
SCHEMBL12125243 0.92 MAPK1 (0.39) CNR2MAPK1GRM5MAPK8MAPK9
SCHEMBL1332249 0.92 MAPK1 (0.39) CNR2MAPK1GRM5MAPK8MAPK9

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
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
WO-2011008931-A2 ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2011-01-20 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-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.