SCHEMBL3963787

SCHEMBL3963787

c1cncc(-c2ccc3c(c2)Sc2ccccc2C3=C2CC3CCC(C2)N3)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 3/20 0.41
DRD2 P14416 1/20 0.41
CYP11B1 P15538 7/20 0.39
CYP11B2 P19099 7/20 0.39
CHRNA3 P32297 2/20 0.39
CYP1A2 P05177 4/20 0.37
TDP2 O95551 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
PDK2 Q15119 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
HPGDS O60760 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
SCHEMBL3961115 0.80 CYP11B1 (0.41) CHRNB2CHRNA4CYP11B1CYP11B2CHRNA3
SCHEMBL3969133 0.78 PDK2 (0.39) DRD2CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL13627451 0.77 CHRM2 (0.32)
SCHEMBL3966221 0.77 CHRM2 (0.32)
SCHEMBL3966537 0.77 SLC6A2 (0.38) CYP3A4
SCHEMBL3969125 0.75 DRD2 (0.38) DRD2
SCHEMBL17489925 0.75 CYP11B1 (0.46) DRD2CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL3965155 0.74 SLC6A2 (0.36) DRD2PDK2
SCHEMBL17489921 0.71 CYP11B1 (0.38) DRD2CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL3167913 0.71 CYP11B2 (0.41) CHRNB2CHRNA4DRD2CYP11B1CYP11B2

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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
EP-1910353-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-16 EP disclosed
WO-2007030089-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 WO disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 CHRNB2 208/4885CHRNA4 104/4885DRD2 49/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 CHRNB2 116/4885CHRNA4 34/4885DRD2 205/4885

“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.