SCHEMBL4480801

SCHEMBL4480801

O=S(=O)(C1CCCCC1)N1CCN(Cc2ccc(-c3ccccc3Cl)cc2)CC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
CCR5 P51681 7/20 0.45
CHRNA7 P36544 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PDE2A O00408 1/20 0.40
CYP2D6 P10635 1/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
GRM2 Q14416 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4475472 0.89 CNR2 (0.56) CNR2CCR5PDE2AATML3MBTL1
SCHEMBL4472814 0.87 CNR2 (0.62) CNR2CCR5CYP2D6OPRM1OPRK1
SCHEMBL4484413 0.85 CNR2 (0.55) CNR2CHRNA7AKR1C3AKR1C1PDE2A
SCHEMBL4465870 0.85 CNR2 (0.54) CNR2AKR1C3AKR1C1GRM2
SCHEMBL4472554 0.81 CNR2 (0.55) CNR2CCR5CHRNA7PDE2ACYP2D6
SCHEMBL4465986 0.77 CNR2 (0.61) CNR2CHRNA7PDE2ACYP2D6GRM2
SCHEMBL4476194 0.76 CNR2 (0.58) CNR2CHRNA7PDE2ACYP2D6GRM2
SCHEMBL4466232 0.75 CNR2 (0.61) CNR2
SCHEMBL4751823 0.75 CNR2 (0.55) CNR2CCR5CHRNA7PDE2ACYP2D6
SCHEMBL4487562 0.75 CNR2 (0.55) CNR2CHRNA7GRM2ATML3MBTL1

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 9 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
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 479/4885CHRNA7 129/4885

“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.