SCHEMBL3593886

SCHEMBL3593886

CC1CN(CCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.38
DRD2 P14416 3/20 0.37
CNR2 P34972 2/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
MOGAT2 Q3SYC2 1/20 0.36
DRD3 P35462 3/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2B P41595 1/20 0.35
DRD4 P21917 1/20 0.35
P2RX7 Q99572 2/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3594686 1.00 CETP (0.38) CETPDRD2CNR2PIK3C3MOGAT2
SCHEMBL3593882 1.00 CETP (0.38) CETPDRD2CNR2PIK3C3MOGAT2
SCHEMBL3593742 0.91 P2RX7 (0.40) CETPDRD2DRD3HTR1AP2RX7
SCHEMBL3592651 0.90 CETP (0.40) CETPDRD2PIK3C3DRD3HTT
SCHEMBL3595758 0.88 DRD2 (0.41) CETPDRD2DRD3HTR1ADRD4
SCHEMBL3588823 0.87 P2RX7 (0.42) CETPP2RX7
SCHEMBL3594908 0.87 CETP (0.36) CETPDRD2CNR2PIK3C3MOGAT2
SCHEMBL14899247 0.87 CETP (0.36) CETPDRD2CNR2PIK3C3MOGAT2
SCHEMBL3594912 0.87 CETP (0.36) CETPDRD2CNR2PIK3C3MOGAT2
SCHEMBL13168255 0.87 CETP (0.36) CETPDRD2CNR2PIK3C3MOGAT2

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 779/4885DRD2 889/4885CNR2 2/4885
US-20100234365-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.