SCHEMBL4503442

SCHEMBL4503442

O=C(c1ccc2c(c1)Oc1ccccc1C2C1CC2CCC(C1)N2Cc1cccs1)N1CCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ OPRD1 P41143 4/20 0.36
▸ ROCK2 O75116 2/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4519364 0.88 RAB9A (0.46) OPRM1OPRK1KCNH2RAB9ANPC1
SCHEMBL4526090 0.85 OPRM1 (0.42) OPRM1OPRK1KCNH2RAB9ANPC1
SCHEMBL4509023 0.85 RAB9A (0.40) RAB9ANPC1KMT2APDK2ROCK2
SCHEMBL4527906 0.84 RAB9A (0.49) OPRM1OPRK1KCNH2RAB9ANPC1
SCHEMBL5195742 0.82 NPC1 (0.42) OPRM1OPRK1KCNH2RAB9ANPC1
SCHEMBL4517833 0.81 OPRM1 (0.46) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL4504977 0.79 PDK2 (0.43) RAB9ANPC1KMT2APDK2ROCK2
SCHEMBL4516858 0.78 OPRM1 (0.40) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL4515301 0.78 PDK2 (0.40) RAB9ANPC1PDK2HDAC4HPGD
SCHEMBL5091015 0.78 PDK2 (0.45) RAB9ANPC1KMT2APDK2ROCK2

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-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US claimed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP claimed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO claimed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 — — US claimed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 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 (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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRK1 2/4885KCNH2 618/4885

“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.

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