SCHEMBL3589787

SCHEMBL3589787

N#CN=C1N(CCN2CCOCC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.38
CTSK P43235 2/20 0.37
KCNH2 Q12809 1/20 0.37
LTA4H P09960 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1A P08908 1/20 0.35
ELANE P08246 1/20 0.35
SLC6A4 P31645 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
EPHX2 P34913 1/20 0.34
MDM2 Q00987 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL3589786 1.00 CETP (0.38) CETPCTSKKCNH2LTA4HDRD2
SCHEMBL14899248 1.00 CETP (0.38) CETPCTSKKCNH2LTA4HDRD2
SCHEMBL13185929 0.92 CTSK (0.37) CETPCTSKKCNH2LTA4HDRD2
SCHEMBL3594908 0.92 CETP (0.36) CETPKCNH2LTA4HDRD2HTR1A
SCHEMBL3594912 0.92 CETP (0.36) CETPKCNH2LTA4HDRD2HTR1A
SCHEMBL14899247 0.92 CETP (0.36) CETPKCNH2LTA4HDRD2HTR1A
SCHEMBL3594911 0.92 CETP (0.36) CETPKCNH2LTA4HDRD2HTR1A
SCHEMBL3583989 0.88 CETP (0.44) CETP
SCHEMBL3583985 0.88 CETP (0.44) CETP
SCHEMBL3583988 0.88 CETP (0.44) CETP

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 8 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 claimed
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 claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
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
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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 (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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885CTSK 1236/4885KCNH2 2253/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885CTSK 1236/4885KCNH2 2253/4885

“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.