SCHEMBL4101651

SCHEMBL4101651

Cc1ccc2c(On3nnc4ccccc43)ncc(C(=O)NCC3CCOCC3)n12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
HTR4 Q13639 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NAMPT P43490 3/20 0.38
CNR2 P34972 4/20 0.37
AOC2 O75106 1/20 0.36
SYK P43405 1/20 0.36
BRD4 O60885 2/20 0.36
ACSS2 Q9NR19 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL4096917 0.82 ALDH1A1 (0.40) POLBALOX15
SCHEMBL4090705 0.77 CNR2 (0.44) HTR4CYP3A4CYP2D6CNR2
SCHEMBL12204535 0.70 POLB (0.56) POLBALOX15SYK
SCHEMBL13940799 0.70 CNR2 (0.57) HTR4CYP3A4CYP2D6CNR2
SCHEMBL13940797 0.70 CNR2 (0.60) CYP3A4CYP2D6CNR2
Hydrochloric Acid SCHEMBL4105426 0.69 CNR2 (0.59) CYP3A4CYP2D6CNR2
Hydrochloric Acid SCHEMBL4101816 0.69 CNR2 (0.57) HTR4CYP3A4CYP2D6CNR2
SCHEMBL13940826 0.69 CNR2 (0.45) CYP3A4CYP2D6CNR2
SCHEMBL13940818 0.69 CNR2 (0.55) CYP3A4CYP2D6CNR2
SCHEMBL13940802 0.69 CNR2 (0.61) CYP3A4CYP2D6CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2007088168-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 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-20090018128-A1 Compounds CNR2, CNR1, TRPV1 POLB 2467/4885ALOX15 280/4885HTR4 250/4885

“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.