SCHEMBL4472829

SCHEMBL4472829

Cc1ccc(Cl)c(-c2ccc(CN3CCN(S(=O)(=O)C4CCCCC4)C(Cc4ccccc4)C3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
SIGMAR1 Q99720 3/20 0.38
TMEM97 Q5BJF2 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
MCOLN2 Q8IZK6 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
MCOLN1 Q9GZU1 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL13708846 1.00 CNR2 (0.51) CNR2SIGMAR1TMEM97HTTALDH1A1
SCHEMBL4476983 0.88 CNR2 (0.55) CNR2SIGMAR1HTTALDH1A1PKM
SCHEMBL4465597 0.88 CNR2 (0.55) CNR2SIGMAR1HTTALDH1A1PKM
SCHEMBL4465600 0.88 CNR2 (0.55) CNR2SIGMAR1HTTALDH1A1PKM
SCHEMBL4475472 0.87 CNR2 (0.56) CNR2ALDH1A1PKMMCOLN2MCOLN3
SCHEMBL4469983 0.86 CNR2 (0.53) CNR2ALDH1A1PKMCA1CA2
SCHEMBL13708847 0.86 CNR2 (0.53) CNR2ALDH1A1PKMCA1CA2
SCHEMBL4469980 0.86 CNR2 (0.53) CNR2ALDH1A1PKMCA1CA2
SCHEMBL4481389 0.84 CNR2 (0.54) CNR2HTTALDH1A1PKMLMNA
SCHEMBL4461953 0.81 CNR2 (0.59) CNR2SIGMAR1ALDH1A1LMNAPOLB

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 4 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
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
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 2/4885SIGMAR1 254/4885TMEM97 470/4885

“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.