SCHEMBL5091027

SCHEMBL5091027

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.35
KCNH2 Q12809 7/20 0.35
MRGPRX2 Q96LB1 1/20 0.33
CYP2D6 P10635 4/20 0.32
SLC6A4 P31645 1/20 0.30

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 0.89 OPRD1 (0.44) OPRD1KCNH2MRGPRX2CYP2D6
SCHEMBL5097411 0.88 MEN1 (0.41) OPRD1KCNH2CYP2D6SLC6A4
SCHEMBL5197449 0.84 PLAU (0.33)
SCHEMBL5090846 0.81 OPRD1 (0.43) OPRD1KCNH2MRGPRX2CYP2D6
SCHEMBL5097270 0.81 KDM4E (0.37) OPRD1KCNH2CYP2D6
SCHEMBL27687211 0.79 CNR1 (0.33)
SCHEMBL5090991 0.78 OPRD1 (0.42) OPRD1KCNH2CYP2D6SLC6A4
SCHEMBL5097281 0.77 OPRD1 (0.44) OPRD1KCNH2CYP2D6
SCHEMBL490270 0.76 OPRD1 (0.48) OPRD1KCNH2MRGPRX2CYP2D6
SCHEMBL4519813 0.76 OPRD1 (0.45) OPRD1KCNH2MRGPRX2CYP2D6

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-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-2006121887-A2 IMPLANTABLE MATERIALS AND METHODS FOR INHIBITING TISSUE ADHESION FORMATION COOK BIOTECH INCORPORATED (US) 2006-11-16 WO 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 1/4885KCNH2 618/4885MRGPRX2 184/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRD1 1/4885KCNH2 618/4885MRGPRX2 184/4885

“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.