SCHEMBL3590244

SCHEMBL3590244

O=C(NCC1CCCCC1)c1cnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.72
CYP2C9 P11712 7/20 0.72
CYP2C19 P33261 6/20 0.72
CYP3A4 P08684 6/20 0.72
CYP1A2 P05177 6/20 0.70
CYP2D6 P10635 4/20 0.68

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
SCHEMBL3379217 0.97 CNR2 (0.72) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3382836 0.94 CNR2 (0.74) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3379829 0.93 CNR2 (0.67) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3592990 0.92 CNR2 (0.65) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3596797 0.91 CNR2 (0.75) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4419263 0.90 CNR2 (0.82) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3382146 0.90 CNR2 (0.82) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3379653 0.89 CNR2 (0.83) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3381979 0.89 CNR2 (0.84) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3379458 0.88 CNR2 (0.84) CNR2CYP2C9CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 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 (2 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-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators CNR2, CNR1, P2RX3 CNR2 1/4885CYP2C9 1187/4885CYP2C19 810/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885CYP2C9 969/4885CYP2C19 641/4885

“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.