SCHEMBL3921909

SCHEMBL3921909

Cc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2OC(F)(F)F)n1CC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.42
CNR2 P34972 3/20 0.40
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 6/20 0.38
CNR1 P21554 7/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3921031 0.89 CNR1 (0.40) CNR2CNR1
SCHEMBL4368746 0.89 CNR2 (0.46) CNR2CNR1POLBKDM4EALDH1A1
SCHEMBL6460491 0.86 TNK2 (0.42) TNK2KCNH2SCN9AHCRTR1HCRTR2
SCHEMBL4369468 0.86 KCNH2 (0.41) CNR2KCNH2SCN9ACNR1
SCHEMBL3922276 0.85 CNR1 (0.40) CNR2CNR1
SCHEMBL4373426 0.80 CNR1 (0.51) CNR2CNR1
SCHEMBL4375072 0.79 CNR1 (0.49) CNR2CNR1GAA
SCHEMBL3916763 0.79 CNR1 (0.43) CNR2CNR1GAA
SCHEMBL3928673 0.77 CNR2 (0.43) CNR2CNR1
SCHEMBL4379578 0.76 ALDH1A1 (0.44) CNR2HCRTR1HCRTR2POLBKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US 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 (2 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 TNK2 2206/4885CNR2 2/4885KCNH2 732/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 TNK2 2074/4885CNR2 2/4885KCNH2 783/4885

“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.