Sugi Predict

Sugi Predict / Compounds / SCHEMBL3965565

SCHEMBL3965565

SCHEMBL3965565

c1ccc(Sc2ccc3c(c2)Sc2ccccc2C3=C2CC3CCC(C2)N3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SETD7 Q8WTS6 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL3966537 0.80 SLC6A2 (0.38) CHRM2HTR1AADRA2AADORA3CYP2D6
SCHEMBL3965155 0.77 SLC6A2 (0.36) CHRM2HTR1AADRA2AADORA3CYP2D6
SCHEMBL3961336 0.76 CYP3A4 (0.35) MAOAMAOBCHRM2HTR1AADRA2A
SCHEMBL3963787 0.73 CHRNB2 (0.41) CYP3A4
SCHEMBL3966221 0.72 CHRM2 (0.32) CHRM2HTR1AADRA2AADORA3CYP2D6
SCHEMBL3966220 0.72 CHRM2 (0.32) CHRM2HTR1AADRA2AADORA3CYP2D6
SCHEMBL13627451 0.72 CHRM2 (0.32) CHRM2HTR1AADRA2AADORA3CYP2D6
SCHEMBL490331 0.71 OPRD1 (0.53) CYP2D6OPRM1KCNH2
SCHEMBL28940579 0.66 MAOA (0.44) MAOAMAOBADORA3SLC6A2SLC6A4
SCHEMBL3384585 0.66 CYP3A4 (0.33) CHRM2HTR1AADRA2AADORA3CYP2D6

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 7 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
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 — — US 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 MAOA 1245/4885MAOB 745/4885CHRM2 190/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAOA 948/4885MAOB 889/4885CHRM2 125/4885

“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.