SCHEMBL3555150

SCHEMBL3555150

O=c1[nH][nH]c(=O)c(-c2ccc(Cl)cc2)c1-c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.58
MAPK14 Q16539 7/20 0.56
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LSS P48449 1/20 0.42
PSD A5PKW4 2/20 0.42
MET P08581 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
AKT1 P31749 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL5215641 0.90 MAPK14 (0.71) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL3561082 0.88 MAPT (0.48) KDM4ELMNAGAAALDH1A1MAPT
SCHEMBL6516740 0.76 GCGR (0.45) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL196861 0.76 GCGR (0.67) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL3558118 0.75 GCGR (0.55) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL4806075 0.75 MAPK14 (0.46) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5214789 0.74 GCGR (0.46) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL3554322 0.73 CNR1 (0.57) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL3552541 0.73 CNR1 (0.47) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL3560568 0.73 CNR1 (0.47) GCGRMAPK14MAPK13MAPK12MAPK11

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-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
US-20050171110-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 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 (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-20050171110-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 GCGR 559/4885MAPK14 2299/4885MAPK13 1788/4885

“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.