SCHEMBL4511833

SCHEMBL4511833

c1csc(CN2C3CCC2CC(C2c4ccccc4Oc4cc(-c5ccncc5)ccc42)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP2D6 P10635 4/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ ALPI P09923 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ SIGMAR1 Q99720 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
SCHEMBL4518047 0.91 CLK4 (0.37) OPRM1OPRK1KCNH2SMN1; SMN2KMT2A
SCHEMBL4502719 0.87 CHRNB2 (0.38) OPRM1OPRK1KCNH2SIGMAR1OPRD1
SCHEMBL4518555 0.85 OPRM1 (0.40) OPRM1OPRK1KCNH2LMNAMAPT
SCHEMBL4511694 0.84 OPRM1 (0.35) OPRM1OPRK1KCNH2SMN1; SMN2KMT2A
SCHEMBL4519262 0.83 OPRK1 (0.33) OPRM1OPRK1KCNH2ROCK2ROCK1
SCHEMBL4504781 0.82 HRH3 (0.41) OPRM1OPRK1KCNH2SIGMAR1OPRD1
SCHEMBL4521665 0.80 OPRM1 (0.36) OPRM1OPRK1KCNH2SMN1; SMN2KMT2A
SCHEMBL3174545 0.80 OPRM1 (0.37) OPRM1OPRK1KCNH2SMN1; SMN2KMT2A
SCHEMBL13394892 0.80 OPRM1 (0.37) OPRM1OPRK1KCNH2SMN1; SMN2KMT2A
SCHEMBL4509389 0.80 CYP2D6 (0.46) OPRM1OPRK1KCNH2SMN1; SMN2KMT2A

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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