SCHEMBL5091002

SCHEMBL5091002

CCNC(=O)c1ccc2c(c1)Oc1c(O)cccc1C2=C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.40
KCNH2 Q12809 3/20 0.40
CYP2D6 P10635 2/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ROCK2 O75116 7/20 0.37
PDK2 Q15119 2/20 0.37
ROCK1 Q13464 4/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
CHRM3 P20309 2/20 0.33
CHRM1 P11229 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL490545 0.88 OPRD1 (0.47) OPRD1KCNH2CYP2D6OPRK1ALDH1A1
SCHEMBL5094922 0.84 PDK2 (0.39) KCNH2ALDH1A1ROCK2PDK2ROCK1
SCHEMBL490378 0.81 ROCK2 (0.48) OPRD1KCNH2CYP2D6OPRK1ROCK2
SCHEMBL5103258 0.76 OPRD1 (0.47) OPRD1KCNH2CYP2D6OPRK1
SCHEMBL3384454 0.75 SETD7 (0.44) OPRD1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5094869 0.74 PARP14 (0.37) ALDH1A1CHRM3CHRM1SMN1; SMN2
SCHEMBL5090960 0.74 OPRD1 (0.45) OPRD1KCNH2CYP2D6OPRK1
SCHEMBL5096902 0.73 OPRD1 (0.48) OPRD1KCNH2CYP2D6OPRK1ALDH1A1
SCHEMBL5197746 0.73 CHRM1 (0.36) OPRD1KCNH2CHRM3CHRM1
SCHEMBL490144 0.71 OPRD1 (0.52) OPRD1KCNH2CYP2D6OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885KCNH2 618/4885CYP2D6 359/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885KCNH2 618/4885CYP2D6 359/4885

“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.