SCHEMBL4472088

SCHEMBL4472088

CC(C)C1CN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CCN1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.56
GRM2 Q14416 2/20 0.47
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 1/20 0.38
S1PR1 P21453 1/20 0.38
MLNR O43193 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
EPHX2 P34913 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
SCHEMBL4476032 0.81 CNR2 (0.66) CNR2KDM4EATMALDH1A1S1PR1
SCHEMBL4466265 0.80 CNR2 (0.59) CNR2GRM2KDM4EATMALDH1A1
SCHEMBL4466263 0.80 CNR2 (0.59) CNR2GRM2KDM4EATMALDH1A1
SCHEMBL4469485 0.80 CNR2 (0.59) CNR2GRM2KDM4EATMALDH1A1
SCHEMBL1189622 0.80 SIGMAR1 (0.51) GRM2KDM4EALDH1A1MEN1KMT2A
SCHEMBL14085915 0.80 SIGMAR1 (0.51) GRM2KDM4EALDH1A1MEN1KMT2A
SCHEMBL310284 0.80 SIGMAR1 (0.51) GRM2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4649714 0.79 CNR2 (0.57) CNR2KDM4EATMALDH1A1S1PR1
SCHEMBL4476884 0.79 CNR2 (0.58) CNR2KDM4EATMALDH1A1S1PR1
SCHEMBL4479931 0.78 CNR2 (0.69) CNR2GRM2DPP4DPP7S1PR1

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 2/4885GRM2 219/4885DPP4 4538/4885

“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.