SCHEMBL4520114

SCHEMBL4520114

COc1cccc2c1Oc1cc(-c3cccnc3)ccc1C2C1CC2CCC(C1)N2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 4/20 0.37
GAA P10253 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP11B2 P19099 7/20 0.36
CYP11B1 P15538 6/20 0.36
PDE4A P27815 1/20 0.36
CYP19A1 P11511 3/20 0.36
CYP17A1 P05093 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHEK1 O14757 1/20 0.35
TNIK Q9UKE5 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
SCHEMBL5097001 0.87 MKNK1 (0.41) HCRTR1HCRTR2GAAMKNK1MKNK2
SCHEMBL4511841 0.86 CYP11B1 (0.38) MKNK1MKNK2CYP11B2CYP11B1CYP19A1
SCHEMBL4516385 0.84 CYP11B1 (0.41) MKNK1MKNK2CYP11B2CYP11B1CYP19A1
SCHEMBL4503572 0.81 HTR2C (0.38) HCRTR1HCRTR2MKNK1MKNK2CYP11B2
SCHEMBL4513710 0.80 SLC6A2 (0.38) KDM4E
SCHEMBL13395069 0.78 CYP11B1 (0.39) HCRTR1HCRTR2MKNK1MKNK2CYP11B2
SCHEMBL3178105 0.78 CYP11B1 (0.39) HCRTR1HCRTR2MKNK1MKNK2CYP11B2
SCHEMBL5196964 0.76 HCRTR1 (0.39) HCRTR1HCRTR2GAAMKNK1MKNK2
SCHEMBL5091011 0.76 HTR1A (0.39) HCRTR1HCRTR2PDE4ACYP19A1CYP1A2
SCHEMBL4522720 0.76 MAPT (0.35) KDM4EMAPK1

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 HCRTR1 74/4885HCRTR2 72/4885GAA 2394/4885

“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.