SCHEMBL3596028

SCHEMBL3596028

CS(=O)(=O)OCCC[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CETP P11597 1/20 0.34
CNR1 P21554 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4441300 1.00 HTT (0.35) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3595644 0.95 HTT (0.36) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4438918 0.95 HTT (0.36) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4439926 0.90 HTT (0.36) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3593071 0.90 HTT (0.36) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL15181817 0.89 HTT (0.39) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3585646 0.88 HTT (0.37) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3586449 0.88 HTT (0.37) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4437675 0.88 HTT (0.37) HTTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3591435 0.87 HTT (0.40) HTTMEN1CYP1A2CYP3A4CYP2D6

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 7 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 disclosed
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-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-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
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 HTT 1829/4885MEN1 2896/4885CYP1A2 1653/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HTT 1829/4885MEN1 2896/4885CYP1A2 1653/4885

“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.