SCHEMBL3149260

SCHEMBL3149260

O=C(C#CCOC1CCCCO1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.35
RORC P51449 2/20 0.33
GCK P35557 1/20 0.32
MGLL Q99685 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3763828 0.87 MEN1 (0.39) MEN1KMT2AGRM5RORCGCK
SCHEMBL534143 0.85 MEN1 (0.38) MEN1KMT2AGRM5RORCGCK
SCHEMBL24167283 0.84 MEN1 (0.44) MEN1KMT2AGRM5RORCGCK
SCHEMBL1412531 0.82 MEN1 (0.39) MEN1KMT2AGRM5RORCGCK
SCHEMBL15273799 0.81 MEN1 (0.39) MEN1KMT2AGRM5RORCGCK
SCHEMBL1412418 0.79 MEN1 (0.38) MEN1KMT2AGRM5GCK
SCHEMBL10576592 0.79 MEN1 (0.38) MEN1KMT2AGRM5GCKL3MBTL1
SCHEMBL7188169 0.78 MEN1 (0.37) MEN1KMT2AGRM5GCK
SCHEMBL3040756 0.78 MEN1 (0.36) MEN1KMT2AGRM5RORCGCK
SCHEMBL1513547 0.77 MEN1 (0.36) MEN1KMT2AGRM5GCK

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-9284303-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-15 US disclosed
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2013-12-05 US disclosed
US-8524757-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV (BE) 2013-09-03 US disclosed
EP-2081572-B1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2010-03-03 EP disclosed
US-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 US disclosed
EP-2081572-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-29 EP disclosed
WO-2008003665-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2008-01-10 WO 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-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 MEN1 4247/4885KMT2A 3032/4885GRM5 219/4885
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 MEN1 4247/4885KMT2A 3032/4885GRM5 219/4885

“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.