SCHEMBL4472814

SCHEMBL4472814

O=S(=O)(C1CCCCC1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.62
CCR5 P51681 7/20 0.42
SCN9A Q15858 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 2/20 0.38
S1PR1 P21453 1/20 0.37
TACR1 P25103 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC13A5 Q86YT5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 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 0.87 CNR2 (0.52) CNR2CCR5OPRM1OPRK1ATM
SCHEMBL4481096 0.87 CNR2 (0.60) CNR2KDM4EALDH1A1ATMTACR1
SCHEMBL4474249 0.86 CNR2 (0.59) CNR2KDM4EALDH1A1ATMTACR1
SCHEMBL4474625 0.83 CNR2 (0.66) CNR2CCR5KDM4EALDH1A1ATM
SCHEMBL4475472 0.80 CNR2 (0.56) CNR2CCR5ALDH1A1ATMMEN1
SCHEMBL4476107 0.79 CNR2 (0.66) CNR2KDM4EALDH1A1ATMS1PR1
SCHEMBL4468418 0.77 CNR2 (0.64) CNR2KDM4EALDH1A1ATMS1PR1
SCHEMBL4489036 0.77 CNR2 (0.64) CNR2KDM4EALDH1A1ATMS1PR1
SCHEMBL4483088 0.77 CNR2 (0.60) CNR2KDM4EALDH1A1ATMTACR1
SCHEMBL4476935 0.77 CNR2 (1.00) CNR2KDM4EALDH1A1ATMS1PR1

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 479/4885SCN9A 1058/4885

“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.