SCHEMBL1333239

SCHEMBL1333239

C[C@H]1CC[C@H](Nc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.49
GABBR1 Q9UBS5 1/20 0.49
SYK P43405 2/20 0.45
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
MMP12 P39900 1/20 0.41
GRM5 P41594 1/20 0.41
CHEK1 O14757 1/20 0.41
MCHR1 Q99705 1/20 0.40
EPHX2 P34913 1/20 0.40
FASN P49327 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KIF11 P52732 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
SCN5A Q14524 3/20 0.37
SCN1A P35498 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1333238 1.00 GABBR2 (0.49) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL12127078 1.00 GABBR2 (0.49) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1333940 0.88 GRM5 (0.41) GABBR2GABBR1SYKGRM5IRAK4
SCHEMBL1333941 0.88 GRM5 (0.41) GABBR2GABBR1SYKGRM5IRAK4
SCHEMBL1034543 0.88 GABBR2 (0.58) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1034396 0.88 GABBR2 (0.55) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1032027 0.87 GABBR2 (0.57) GABBR2GABBR1SYKGALR2GALR1
SCHEMBL1033458 0.86 PTGS1 (0.41) GABBR2GABBR1GRM5IRAK4SCN5A
SCHEMBL1033459 0.86 PTGS1 (0.41) GABBR2GABBR1GRM5IRAK4SCN5A
SCHEMBL1034755 0.85 MAPK1 (0.50) GABBR2GABBR1SYKGALR2GALR1

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
US-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
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
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 GABBR2 1369/4885GABBR1 1484/4885SYK 2154/4885

“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.