SCHEMBL13655647

SCHEMBL13655647

CC(C)(C)C1=C(C(C)(C)C)OC(c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
OPRM1 P35372 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ALDH1A1 P00352 2/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31

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
SCHEMBL15337519 0.73 CNR1 (0.36) OPRM1ALDH1A1OPRK1OPRL1SMN1; SMN2
SCHEMBL7442888 0.70 CNR1 (0.44) CFTRGOPCCNR1GAANPSR1
SCHEMBL30307890 0.70 CNR1 (0.44) CFTRGOPCCNR1GAANPSR1
SCHEMBL6735829 0.69 CNR1 (0.38) CFTRGOPCCNR1GAANPSR1
SCHEMBL13659732 0.68 SMN1; SMN2 (0.39) POLBOPRM1OPRK1OPRL1SMN1; SMN2
SCHEMBL1698175 0.66 CA1 (0.37) OPRM1OPRK1OPRL1CFTRGOPC
SCHEMBL9488195 0.66 OPRM1 (0.36) OPRM1OPRK1OPRL1CFTRGOPC
SCHEMBL8122274 0.64 CFTR (0.39) ALDH1A1SMN1; SMN2ATMCFTRGOPC
SCHEMBL21481026 0.63 SMN1; SMN2 (0.35) SMN1; SMN2CNR1HCAR3HCAR2L3MBTL1
SCHEMBL763027 0.63 CNR1 (0.46) CNR1GAALMNANPSR1

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-9732080-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-15 US disclosed
US-9732080-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-15 US disclosed
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARAMCEUTICALS INCORPORATED 2015-11-26 US disclosed
US-9102672-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-11 US disclosed
US-20140024672-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-23 US disclosed
US-8563573-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-22 US disclosed
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 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 (3 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-20140024672-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 POLB 2556/4885GPR55 788/4885OPRM1 2389/4885
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 POLB 2556/4885GPR55 788/4885OPRM1 2389/4885
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 POLB 2556/4885GPR55 788/4885OPRM1 2389/4885

“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.