SCHEMBL4466232

SCHEMBL4466232

Cc1ccc(Cl)c(-c2ccc(CN3CCN(S(C)(=O)=O)C(c4ccccc4)C3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.61
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL4473174 0.90 CNR2 (0.59) CNR2NR1H2NR1H3ALDH1A1
SCHEMBL4484413 0.89 CNR2 (0.55) CNR2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4475472 0.88 CNR2 (0.56) CNR2NR1H2NR1H3POLBALDH1A1
SCHEMBL4476983 0.85 CNR2 (0.55) CNR2LMNAPOLBALDH1A1PKM
SCHEMBL4465597 0.85 CNR2 (0.55) CNR2LMNAPOLBALDH1A1PKM
SCHEMBL4465600 0.85 CNR2 (0.55) CNR2LMNAPOLBALDH1A1PKM
SCHEMBL4472224 0.85 CNR2 (0.66) CNR2LMNAPOLBALDH1A1S1PR1
SCHEMBL4477428 0.83 CNR2 (0.64) CNR2NR1H2NR1H3LMNAPOLB
SCHEMBL4481910 0.82 CNR2 (0.61) CNR2ALDH1A1S1PR1S1PR5
SCHEMBL14495607 0.82 CNR2 (0.63) CNR2LMNAPOLBALDH1A1S1PR1

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-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 CNR2 2/4885NR1H2 60/4885NR1H3 113/4885

“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.