SCHEMBL3585377

SCHEMBL3585377

CS(=O)(=O)N1CCN(CCCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.40
CNR1 P21554 1/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 3/20 0.38
DRD1 P21728 2/20 0.38
TRPV4 Q9HBA0 1/20 0.37
DRD5 P21918 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL3585373 1.00 CETP (0.40) CETPCNR1DRD2HTR7DRD3
SCHEMBL3592797 0.95 CETP (0.41) CETPCNR1DRD2HTR7DRD3
SCHEMBL3592793 0.95 CETP (0.41) CETPCNR1DRD2HTR7DRD3
SCHEMBL3594738 0.90 CETP (0.38) CETPCNR1DRD2HTR7DRD3
SCHEMBL3588178 0.86 P2RX7 (0.46) CETPDRD2DRD3TRPV4
SCHEMBL3588174 0.86 P2RX7 (0.46) CETPDRD2DRD3TRPV4
SCHEMBL3586718 0.84 CETP (0.44) CETPDRD2
SCHEMBL3586722 0.84 CETP (0.44) CETPDRD2
SCHEMBL3595295 0.83 CETP (0.41) CETPDRD2
SCHEMBL3595299 0.83 CETP (0.41) CETPDRD2

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 779/4885CNR1 1/4885DRD2 889/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885CNR1 1/4885DRD2 889/4885

“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.