SCHEMBL4477905

SCHEMBL4477905

FC(F)(F)c1ccccc1-c1ncc(CN2CCNC(c3ccccc3)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 2/20 0.38
KCNJ1 P48048 5/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
DHODH Q02127 1/20 0.36
USP1 O94782 3/20 0.36
WDR48 Q8TAF3 3/20 0.36
MLNR O43193 1/20 0.35
LTA4H P09960 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4478616 0.88 CNR2 (0.48) CNR2CYP1A2KCNJ1HSD11B1KDM4E
SCHEMBL4476032 0.84 CNR2 (0.66) CNR2HSD11B1KDM4EALDH1A1ATM
SCHEMBL4473004 0.79 CNR2 (0.72) CNR2
SCHEMBL4480091 0.79 LTA4H (0.44) CNR2KCNJ1ALDH1A1LTA4H
SCHEMBL6698689 0.75 TACR1 (0.55) CYP1A2CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL3272922 0.75 SIGMAR1 (0.54) CYP1A2CYP2C9ALDH1A1LTA4HCYP3A4
SCHEMBL3277741 0.75 SIGMAR1 (0.54) CYP1A2CYP2C9ALDH1A1LTA4HCYP3A4
SCHEMBL3272931 0.75 SIGMAR1 (0.54) CYP1A2CYP2C9ALDH1A1LTA4HCYP3A4
SCHEMBL4482468 0.74 TRPV6 (0.54) CNR2KCNJ1LTA4H
SCHEMBL31235614 0.74 KDM4E (0.50) CNR2CYP1A2HSD11B1KDM4EALDH1A1

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 2/4885CYP1A2 440/4885CYP2C9 1173/4885

“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.