SCHEMBL1608331

SCHEMBL1608331

CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCC(F)(F)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.54
CNR1 P21554 2/20 0.54
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KCNH2 Q12809 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1609365 0.90 CNR2 (0.56) CNR2CNR1KCNH2
SCHEMBL4552838 0.90 CNR2 (0.56) CNR2CNR1KCNH2
SCHEMBL1609008 0.90 CNR2 (0.61) CNR2CNR1RAB9ATP53
SCHEMBL1608861 0.90 CNR2 (0.61) CNR2CNR1RAB9ATP53
SCHEMBL1608317 0.90 CNR2 (0.61) CNR2CNR1RAB9ATP53
SCHEMBL1609363 0.89 CNR2 (0.57) CNR2CNR1KCNH2
SCHEMBL1608211 0.89 CNR2 (0.57) CNR2CNR1KCNH2
SCHEMBL1609574 0.88 CNR2 (0.56) CNR2CNR1KCNH2
SCHEMBL1608323 0.88 CNR2 (0.55) CNR2CNR1KCNH2
SCHEMBL1609335 0.87 CNR2 (0.55) CNR2CNR1RAB9AKCNH2

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-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 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-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 CNR2 187/4885CNR1 35/4885RAB9A 859/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 CNR2 13/4885CNR1 5/4885RAB9A 1213/4885

“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.