SCHEMBL5103258

SCHEMBL5103258

CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)Oc2c(O)cccc2C3=C2CCNCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.47
KCNH2 Q12809 11/20 0.47
CYP2D6 P10635 5/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MRGPRX2 Q96LB1 1/20 0.41
OPRM1 P35372 9/20 0.41
OPRK1 P41145 5/20 0.40
ABCB11 O95342 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
SCHEMBL5090960 0.82 OPRD1 (0.45) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL5096902 0.81 OPRD1 (0.48) OPRD1KCNH2CYP2D6HPGDOPRM1
SCHEMBL490144 0.80 OPRD1 (0.52) OPRD1KCNH2CYP2D6OPRM1OPRK1
SCHEMBL490192 0.78 OPRD1 (0.46) OPRD1KCNH2CYP2D6HPGDMRGPRX2
SCHEMBL5091002 0.76 OPRD1 (0.40) OPRD1KCNH2CYP2D6OPRK1
SCHEMBL5090846 0.76 OPRD1 (0.43) OPRD1KCNH2CYP2D6LMNAHPGD
SCHEMBL5197746 0.75 CHRM1 (0.36) OPRD1KCNH2LMNA
SCHEMBL5094869 0.75 PARP14 (0.37)
SCHEMBL3384454 0.72 SETD7 (0.44) OPRD1KCNH2LMNA
SCHEMBL490547 0.71 OPRD1 (0.49) OPRD1KCNH2CYP2D6HPGDOPRM1

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.