SCHEMBL3589512

SCHEMBL3589512

O=C1N(Cc2ccc(N3CCCC3)nc2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.46
L3MBTL1 Q9Y468 2/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
KLKB1 P03952 2/20 0.38
PRCP P42785 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3589509 1.00 CETP (0.46) CETPL3MBTL1NR1H2NR1H3KLKB1
SCHEMBL3584259 0.99 CETP (0.46) CETPL3MBTL1NR1H2NR1H3KLKB1
SCHEMBL3584252 0.99 CETP (0.46) CETPL3MBTL1NR1H2NR1H3KLKB1
SCHEMBL3591574 0.93 CETP (0.48) CETPNR1H2NR1H3
SCHEMBL3591580 0.93 CETP (0.48) CETPNR1H2NR1H3
SCHEMBL3589673 0.91 CETP (0.43) CETPL3MBTL1NR1H2NR1H3
SCHEMBL3589667 0.91 CETP (0.43) CETPL3MBTL1NR1H2NR1H3
SCHEMBL3597837 0.90 NR1H2 (0.44) CETPL3MBTL1NR1H2NR1H3
SCHEMBL3597831 0.90 NR1H2 (0.44) CETPL3MBTL1NR1H2NR1H3
SCHEMBL3594021 0.88 CETP (0.50) CETPNR1H2NR1H3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 779/4885L3MBTL1 4596/4885NR1H2 61/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885L3MBTL1 4596/4885NR1H2 61/4885

“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.