SCHEMBL4473704

SCHEMBL4473704

N#Cc1ccccc1-c1ccc(CN2CCN[C@@H](Cc3ccccc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.57
LTA4H P09960 1/20 0.51
ACHE P22303 1/20 0.47
PRKAG1 P54619 3/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
DPP8 Q6V1X1 1/20 0.41
CHKA P35790 1/20 0.39
PPARG P37231 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
KDM1A O60341 1/20 0.37
CYP2D6 P10635 1/20 0.37
ESR2 Q92731 1/20 0.37
TACR1 P25103 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
SCHEMBL4473706 1.00 CNR2 (0.57) CNR2LTA4HACHEPRKAG1PRKAA1
SCHEMBL3505358 0.85 LTA4H (0.61) LTA4HSIGMAR1DRD2CYP2D6
SCHEMBL3493058 0.85 LTA4H (0.61) LTA4HSIGMAR1DRD2CYP2D6
SCHEMBL4474543 0.84 CNR2 (0.54) CNR2LTA4HSIGMAR1CYP2D6TACR1
SCHEMBL4472251 0.84 CNR2 (0.54) CNR2LTA4HSIGMAR1CYP2D6TACR1
SCHEMBL4472249 0.84 CNR2 (0.54) CNR2LTA4HSIGMAR1CYP2D6TACR1
SCHEMBL4290430 0.84 LTA4H (0.58) LTA4HCHKASIGMAR1DRD2CYP2D6
SCHEMBL3491795 0.82 LTA4H (0.61) LTA4HACHESIGMAR1CYP2D6TACR1
SCHEMBL24350 0.82 LTA4H (0.61) LTA4HACHESIGMAR1CYP2D6TACR1
SCHEMBL18325 0.82 LTA4H (0.61) LTA4HACHESIGMAR1CYP2D6TACR1

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 2/4885LTA4H 1547/4885ACHE 1387/4885

“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.