SCHEMBL4387326

SCHEMBL4387326

NOC(c1cccc(C(F)(F)F)c1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.57
TDO2 P48775 3/20 0.55
PNMT P11086 1/20 0.46
OPRL1 P41146 3/20 0.45
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 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
SCHEMBL4144907 0.76 PNMT (0.46) IDO1TDO2PNMTOPRL1OPRM1
SCHEMBL4157268 0.76 PNMT (0.58) IDO1TDO2PNMTOPRL1OPRM1
SCHEMBL27331494 0.74 IDO1 (1.00) IDO1
SCHEMBL8410943 0.73 IDO1 (0.61) IDO1TDO2PNMTTSHRMAPK1
SCHEMBL8460159 0.73 IDO1 (0.61) IDO1TDO2PNMTTSHRMAPK1
SCHEMBL8464360 0.73 IDO1 (0.61) IDO1TDO2PNMTTSHRMAPK1
SCHEMBL8990350 0.73 OPRM1 (0.38) IDO1TDO2PNMTOPRL1OPRM1
SCHEMBL4386224 0.72 IDO1 (0.57) IDO1EPHX1
SCHEMBL26921796 0.72 OPRL1 (0.54) IDO1TDO2PNMTOPRL1OPRM1
SCHEMBL11834096 0.72 IDO1 (0.44) IDO1TDO2PNMTOPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 IDO1 305/4885TDO2 210/4885PNMT 1779/4885

“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.