SCHEMBL14899247

SCHEMBL14899247

C[C@H]1CN(CCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)/C2=N/C#N)CCO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.36
DRD2 P14416 1/20 0.35
CNR2 P34972 2/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
DRD4 P21917 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
LTA4H P09960 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL3594908 1.00 CETP (0.36) CETPDRD2CNR2CHRM2HTR1A
SCHEMBL3594912 1.00 CETP (0.36) CETPDRD2CNR2CHRM2HTR1A
SCHEMBL3594911 1.00 CETP (0.36) CETPDRD2CNR2CHRM2HTR1A
SCHEMBL3589786 0.92 CETP (0.38) CETPDRD2HTR1ALTA4HSLC6A4
SCHEMBL3589787 0.92 CETP (0.38) CETPDRD2HTR1ALTA4HSLC6A4
SCHEMBL14899248 0.92 CETP (0.38) CETPDRD2HTR1ALTA4HSLC6A4
SCHEMBL13185943 0.90 DRD1 (0.34) DRD2CNR2DRD3DRD4LMNA
SCHEMBL13168255 0.88 CETP (0.36) CETPDRD2CNR2CHRM2HTR1A
SCHEMBL3593882 0.87 CETP (0.38) CETPDRD2CNR2CHRM2HTR1A
SCHEMBL3594686 0.87 CETP (0.38) CETPDRD2CNR2CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 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 (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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885DRD2 889/4885CNR2 2/4885

“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.