SCHEMBL9893054

SCHEMBL9893054

CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN2c2ccc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.50
ATAD2 Q6PL18 1/20 0.47
CNR1 P21554 5/20 0.47
CYP2C8 P10632 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
CFD P00746 1/20 0.44
KCNQ1 P51787 2/20 0.44
BACE1 P56817 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2568598 0.85 CNR2 (0.66) CNR2ATAD2CNR1CYP2C8CYP2C19
SCHEMBL9893044 0.82 CNR2 (0.57) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9893107 0.82 CNR2 (0.64) CNR2ATAD2CNR1CYP2C8CYP2C19
SCHEMBL9893099 0.79 CNR2 (0.75) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9893102 0.79 CNR2 (0.60) CNR2ATAD2CNR1CYP2C8CYP2C19
SCHEMBL13284927 0.76 CNR2 (0.51) CNR2ATAD2CNR1CYP2C8CYP2C19
SCHEMBL9892079 0.75 CCNE1 (0.54) CNR2ATAD2CNR1CYP2C8CYP2C19
SCHEMBL13284734 0.74 ATAD2 (0.53) CNR2ATAD2CNR1CFDKCNQ1
SCHEMBL9892092 0.70 ATAD2 (0.58) CNR2ATAD2CNR1CYP2D6CFD
SCHEMBL9107269 0.69 L3MBTL1 (0.61) CNR2ATAD2CFDKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (1 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885ATAD2 2417/4885CNR1 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.