SCHEMBL229040

SCHEMBL229040

NC(=O)c1nc(CN2CCC(F)(F)CC2)c2ccccn12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.66
CNR1 P21554 6/20 0.66
MAP2K3 P46734 2/20 0.45
MAPK14 Q16539 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
METTL3 Q86U44 1/20 0.39
MAP3K14 Q99558 1/20 0.39
GRM2 Q14416 1/20 0.39
HTR4 Q13639 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
SCHEMBL2743124 0.88 CNR2 (0.60) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL18039524 0.84 CNR1 (0.66) CNR2CNR1MAP2K3MAPK14HTR3E
SCHEMBL2743126 0.83 CNR2 (0.61) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL14143173 0.82 CNR2 (0.56) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL4340056 0.82 CNR2 (0.68) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL4326167 0.82 CNR2 (0.68) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL4318798 0.81 CNR2 (0.77) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL2743128 0.80 CNR2 (0.58) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL4324493 0.80 CNR2 (0.74) CNR2CNR1METTL3
SCHEMBL4325403 0.80 CNR2 (0.61) CNR2CNR1METTL3HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004222-A1 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. 2012-01-05 US disclosed
US-20120004222-A1 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. 2012-01-05 US disclosed
US-20120004222-A1 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. 2012-01-05 US disclosed
EP-2203171-A2 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-07-07 EP disclosed
WO-2009025785-A2 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-02-26 WO disclosed
WO-2009025785-A2 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-02-26 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-20120004222-A1 CB2 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885MAP2K3 2909/4885

“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.