SCHEMBL1032260

SCHEMBL1032260

CC1CCC(Nc2ncc(-c3ccc(OCC#N)cc3)c(OCc3ccccc3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
CNR2 P34972 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
GRM5 P41594 1/20 0.37
ALOX5 P09917 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT5 O14744 2/20 0.36
KCNH2 Q12809 1/20 0.35
PIM1 P11309 1/20 0.35
MERTK Q12866 1/20 0.34
CCNK O75909 1/20 0.34
CCNA2 P20248 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
SCHEMBL1032261 1.00 CNR1 (0.39) CNR1CNR2ADORA2AADORA2BADORA1
SCHEMBL1332861 0.87 GRM5 (0.41) ADORA2AADORA2BADORA1GRM5MAPT
SCHEMBL1332862 0.87 GRM5 (0.41) ADORA2AADORA2BADORA1GRM5MAPT
SCHEMBL1334460 0.86 GRM5 (0.39) GRM5MAPTHSD17B10RAB9AKCNH2
SCHEMBL1334461 0.86 GRM5 (0.39) GRM5MAPTHSD17B10RAB9AKCNH2
SCHEMBL1033086 0.84 GRM5 (0.38) CNR1GRM5MAPTHSD17B10RAB9A
SCHEMBL1033087 0.84 GRM5 (0.38) CNR1GRM5MAPTHSD17B10RAB9A
SCHEMBL1332304 0.84 GRM5 (0.37) ADORA2AADORA2BADORA1GRM5MAPT
SCHEMBL1332302 0.84 GRM5 (0.37) ADORA2AADORA2BADORA1GRM5MAPT
SCHEMBL1332899 0.83 GRM5 (0.39) ADORA2AADORA2BADORA1GRM5MAPT

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 CNR1 1055/4885CNR2 836/4885ADORA2A 158/4885

“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.