SCHEMBL4478616

SCHEMBL4478616

FC(F)(F)c1ccccc1-c1ccc(CN2CCNC(c3ccccc3)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
MLNR O43193 1/20 0.42
KCNJ1 P48048 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTA4H P09960 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
FLT3 P36888 2/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 0.35
GAS6 Q14393 2/20 0.35
CHRM4 P08173 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL4477905 0.88 CNR2 (0.47) CNR2MLNRKCNJ1CYP1A2CYP2C19
SCHEMBL4476032 0.84 CNR2 (0.66) CNR2LTA4HHSD11B1KDM4EALDH1A1
SCHEMBL4481553 0.80 CNR2 (0.73) CNR2
SCHEMBL4481560 0.80 CNR2 (0.73) CNR2
SCHEMBL4482468 0.77 TRPV6 (0.54) CNR2KCNJ1LTA4H
SCHEMBL4480091 0.75 LTA4H (0.44) CNR2KCNJ1LTA4HALDH1A1
SCHEMBL6698689 0.74 TACR1 (0.55) CYP1A2CYP2C19
SCHEMBL3272922 0.74 SIGMAR1 (0.54) CYP1A2CYP2C19LTA4HALDH1A1
SCHEMBL3277741 0.74 SIGMAR1 (0.54) CYP1A2CYP2C19LTA4HALDH1A1
SCHEMBL3272931 0.74 SIGMAR1 (0.54) CYP1A2CYP2C19LTA4HALDH1A1

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 2/4885MLNR 676/4885KCNJ1 1915/4885

“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.