SCHEMBL4513007

SCHEMBL4513007

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccc(Br)cc1C2C1CC2CCC(C1)N2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
HPGD P15428 4/20 0.39
USP2 O75604 1/20 0.34
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
DRD2 P14416 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
HTR7 P34969 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GUSB P08236 1/20 0.33

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
SCHEMBL4514324 0.89 OPRD1 (0.42) OPRM1OPRD1HPGDHTR2AHTR2C
SCHEMBL4507748 0.88 OPRD1 (0.50) OPRM1OPRD1HPGDUSP2MEN1
SCHEMBL5196017 0.87 OPRD1 (0.38) OPRM1OPRD1HPGDUSP2HTR2A
SCHEMBL4517006 0.81 OPRD1 (0.45) OPRM1OPRD1HPGDMEN1POLB
SCHEMBL4519813 0.81 OPRD1 (0.45) OPRM1OPRD1HPGDMEN1POLB
SCHEMBL4518730 0.80 OPRD1 (0.44) OPRM1OPRD1HPGDMEN1POLB
SCHEMBL5196626 0.79 OPRD1 (0.43) OPRM1OPRD1HPGDMEN1KMT2A
SCHEMBL4511427 0.79 OPRM1 (0.43) OPRM1OPRD1HPGDMEN1KMT2A
SCHEMBL4520222 0.78 OPRD1 (0.46) OPRM1OPRD1HPGD
SCHEMBL4511678 0.77 MEN1 (0.40) OPRM1OPRD1USP2HTR2AHTR2C

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 OPRM1 4/4885OPRD1 1/4885HPGD 860/4885

“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.