SCHEMBL4475472

SCHEMBL4475472

Cc1ccc(Cl)c(-c2ccc(CN3CCN(S(=O)(=O)C4CCCCC4)C(c4ccccc4)C3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.56
CCR5 P51681 6/20 0.41
MCOLN2 Q8IZK6 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MCOLN1 Q9GZU1 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE2A O00408 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4480801 0.89 CNR2 (0.52) CNR2CCR5ATML3MBTL1PDE2A
SCHEMBL4466232 0.88 CNR2 (0.61) CNR2NR1H2NR1H3ALDH1A1PKM
SCHEMBL13708846 0.87 CNR2 (0.51) CNR2MCOLN2MCOLN3MCOLN1ATM
SCHEMBL4472829 0.87 CNR2 (0.51) CNR2MCOLN2MCOLN3MCOLN1ATM
SCHEMBL4473174 0.86 CNR2 (0.59) CNR2NR1H2NR1H3ALDH1A1KMT2A
SCHEMBL4474465 0.83 CNR2 (0.60) CNR2CCR5PDE2AALDH1A1PKM
SCHEMBL4472224 0.81 CNR2 (0.66) CNR2L3MBTL1PDE2AALDH1A1POLB
SCHEMBL4472814 0.80 CNR2 (0.62) CNR2CCR5ATMALDH1A1MEN1
SCHEMBL4477428 0.79 CNR2 (0.64) CNR2NR1H2NR1H3ALDH1A1POLB
SCHEMBL4481910 0.79 CNR2 (0.61) CNR2ALDH1A1

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 8 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
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP 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
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 CNR2 2/4885CCR5 479/4885MCOLN2 1156/4885

“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.