SCHEMBL3173161

SCHEMBL3173161

CN1C2CCC1CC(N1c3ccccc3Sc3cc(Br)ccc31)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
NOX1 Q9Y5S8 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
MEN1 O00255 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5119561 0.83 PIM1 (0.48) PIM1DRD2HTR2AHTR7HTR6
SCHEMBL3183817 0.82 PIM1 (0.38) PIM1DRD2HTR2AHTR7HTR6
SCHEMBL3177213 0.81 CHRM2 (0.46) DRD2SLC6A2SLC6A4NOX1CHRNB4
SCHEMBL3168391 0.79 PIM1 (0.41) PIM1DRD2HTR2AHTR7HTR6
SCHEMBL3183025 0.77 PIM1 (0.36) PIM1DRD2HTR2AHTR7HTR6
SCHEMBL3173291 0.76 ALDH1A1 (0.43) L3MBTL1BCHE
SCHEMBL3173021 0.76 OPRM1 (0.48) CHRM3BCHE
SCHEMBL3183436 0.76 KDM1A (0.34) DRD2SLC6A2SLC6A4NOX1CHRNB4
SCHEMBL3173436 0.76 BCHE (0.39) DRD2HTR2ASLC6A2SLC6A4ADRA2A
SCHEMBL5115279 0.74 ACHE (0.44) PIM1DRD2HTR2AHTR7HTR6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 US disclosed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135763-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 (3 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-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PIM1 4531/4885DRD2 207/4885HTR2A 291/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 PIM1 4533/4885DRD2 205/4885HTR2A 300/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 PIM1 4533/4885DRD2 205/4885HTR2A 300/4885

“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.