SCHEMBL5097281

SCHEMBL5097281

CCN(CC)C(=O)c1ccc2c(c1)Oc1c(OC)cccc1C2C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.44
OPRM1 P35372 10/20 0.44
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
BLM P54132 1/20 0.42
KCNH2 Q12809 5/20 0.39
CYP2D6 P10635 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRK1 P41145 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL5094768 0.88 OPRD1 (0.44) OPRD1OPRM1HSP90AA1HSP90AB1KCNH2
SCHEMBL4511427 0.87 OPRM1 (0.43) OPRD1OPRM1CYP1A2HSP90AA1HSP90AB1
SCHEMBL5090991 0.87 OPRD1 (0.42) OPRD1OPRM1HSP90AA1HSP90AB1KCNH2
SCHEMBL490270 0.85 OPRD1 (0.48) OPRD1OPRM1KCNH2CYP2D6MEN1
SCHEMBL5090846 0.80 OPRD1 (0.43) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL5090967 0.78 HTR2C (0.42) KDM4EMEN1NPC1KMT2AHPGD
SCHEMBL5091027 0.77 OPRD1 (0.35) OPRD1KCNH2CYP2D6
SCHEMBL5097027 0.75 PDE4A (0.42) KDM4EMEN1KMT2A
SCHEMBL4519813 0.75 OPRD1 (0.45) OPRD1OPRM1CYP1A2HSP90AA1HSP90AB1
SCHEMBL4517006 0.75 OPRD1 (0.45) OPRD1OPRM1CYP1A2KCNH2CYP2D6

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 10 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 claimed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP claimed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 US claimed
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
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO 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 1/4885OPRM1 4/4885CYP1A2 268/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885CYP1A2 268/4885

“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.