SCHEMBL3384585

SCHEMBL3384585

NC(=O)c1cccc2c1Sc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
BCAT2 O15382 1/20 0.33
OPRM1 P35372 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL3382259 0.74 TRPA1 (0.40) PARP1CHRNA7
SCHEMBL3966537 0.69 SLC6A2 (0.38) CYP3A4HTTOPRM1CHRM2HTR1A
SCHEMBL490331 0.68 OPRD1 (0.53) OPRM1CYP2D6KCNH2OPRD1
SCHEMBL3965155 0.67 SLC6A2 (0.36) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL3384341 0.66 CHRNA7 (0.36) KEAP1NFE2L2OPRM1SETD7CHRNA7
SCHEMBL28016441 0.63 MEN1 (0.43) KEAP1NFE2L2BCAT2PARP1
SCHEMBL3963787 0.63 CHRNB2 (0.41) CYP3A4
SCHEMBL3385842 0.63 MEN1 (0.36) KEAP1NFE2L2OPRM1CYP2D6SLC6A4
SCHEMBL13627451 0.62 CHRM2 (0.32) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL6450659 0.61 TRPA1 (0.42) KEAP1NFE2L2BCAT2PARP1

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
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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 (2 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 CYP3A4 363/4885HTT 3367/4885KEAP1 2319/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 CYP3A4 363/4885HTT 3367/4885KEAP1 2319/4885

“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.