SCHEMBL3589673

SCHEMBL3589673

CCN1CCN(c2ccc(CN3CC(c4cccc(C(F)(F)F)c4)N(c4ccc(Cl)cc4)C3=O)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.43
NR1H2 P55055 6/20 0.40
NR1H3 Q13133 6/20 0.40
POLB P06746 2/20 0.40
CTSC P53634 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TNK2 Q07912 1/20 0.35
MAP4K2 Q12851 1/20 0.35

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
SCHEMBL3589667 1.00 CETP (0.43) CETPNR1H2NR1H3POLBCTSC
SCHEMBL3589512 0.91 CETP (0.46) CETPNR1H2NR1H3L3MBTL1
SCHEMBL3589509 0.91 CETP (0.46) CETPNR1H2NR1H3L3MBTL1
SCHEMBL3584252 0.91 CETP (0.46) CETPNR1H2NR1H3L3MBTL1
SCHEMBL3584259 0.91 CETP (0.46) CETPNR1H2NR1H3L3MBTL1
SCHEMBL3597831 0.90 NR1H2 (0.44) CETPNR1H2NR1H3L3MBTL1
SCHEMBL3597837 0.90 NR1H2 (0.44) CETPNR1H2NR1H3L3MBTL1
SCHEMBL3591574 0.89 CETP (0.48) CETPNR1H2NR1H3
SCHEMBL3591580 0.89 CETP (0.48) CETPNR1H2NR1H3
SCHEMBL3594021 0.85 CETP (0.50) CETPNR1H2NR1H3

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 6 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

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 779/4885NR1H2 61/4885NR1H3 112/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885NR1H2 61/4885NR1H3 112/4885

“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.