SCHEMBL4516385

SCHEMBL4516385

c1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CC3CCC(C2)N3)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.41
CYP11B2 P19099 8/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA3 P32297 1/20 0.39
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
PGR P06401 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.35
PSIP1 O75475 1/20 0.35
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL4510859 0.88 MEN1 (0.33) SLC6A2SLC6A4KCNH2MEN1
SCHEMBL4511841 0.87 CYP11B1 (0.38) CYP11B1CYP11B2CHRNB2CHRNA4CHRNA3
SCHEMBL5194130 0.86 CYP11B1 (0.39) CYP11B1CYP11B2CHRNB2CHRNA4CHRNA3
SCHEMBL5094873 0.84 CYP1A2 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1PGR
SCHEMBL4520114 0.84 HCRTR1 (0.37) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL4516657 0.80 BIRC5 (0.39) CHRNB2CHRNA4MKNK2
SCHEMBL4513498 0.80 CTSK (0.35) SLC6A2SLC6A4CYP1A2MEN1
SCHEMBL13711443 0.80 CYP11B1 (0.37) CYP11B1CYP11B2CYP17A1CYP19A1PGR
SCHEMBL4517603 0.79 CTSK (0.35) KCNH2
SCHEMBL4508291 0.79 KCNH2 (0.37) CYP11B1CYP11B2CHRNB2CHRNA4KCNH2

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 8 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
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 CYP11B1 426/4885CYP11B2 416/4885CHRNB2 116/4885

“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.