SCHEMBL5708653

SCHEMBL5708653

Fc1ccc(Nc2ncc(CNCC3CC3)c(C(F)(F)F)n2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.55
CYP1A2 P05177 5/20 0.54
CYP2C9 P11712 7/20 0.51
CYP3A4 P08684 6/20 0.51
CYP2C19 P33261 5/20 0.51
CYP2D6 P10635 3/20 0.51
ULK1 O75385 1/20 0.48
SOS1 Q07889 1/20 0.47
CRHR1 P34998 1/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
PRKCQ Q04759 1/20 0.44

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
Hydrochloric Acid SCHEMBL4886304 0.99 CNR2 (0.54) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL14026124 0.87 CNR2 (0.71) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL14026143 0.84 CNR2 (0.56) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
Formic Acid SCHEMBL4895156 0.83 CNR2 (0.69) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL14026119 0.83 CNR2 (0.72) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL4888223 0.83 CNR2 (0.72) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL4896789 0.83 CNR2 (0.63) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL4894501 0.82 CNR2 (0.73) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL14026158 0.81 CNR2 (0.73) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL14026118 0.81 CNR2 (0.73) CNR2CYP1A2CYP2C9CYP3A4CYP2C19

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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
EP-1718620-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 CNR2 1/4885CYP1A2 749/4885CYP2C9 729/4885

“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.