Sugi Predict

Sugi Predict / Compounds / SCHEMBL3222759

SCHEMBL3222759

SCHEMBL3222759

[2H]C([2H])(O)C([2H])([2H])N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.65
▸ LMNA P02545 2/20 0.65
▸ CHRM2 P08172 2/20 0.65
▸ HTR1A P08908 2/20 0.65
▸ ADRA2A P08913 2/20 0.65
▸ CHRM1 P11229 2/20 0.65
▸ ADRA2B P18089 2/20 0.65
▸ ADRA2C P18825 2/20 0.65
▸ CHRM3 P20309 2/20 0.65
▸ DRD1 P21728 2/20 0.65
▸ HTR2A P28223 2/20 0.65
▸ HTR2C P28335 2/20 0.65
▸ ADRA1A P35348 2/20 0.65
▸ HRH1 P35367 2/20 0.65
▸ OPRM1 P35372 2/20 0.65
▸ DRD3 P35462 2/20 0.65
▸ HTR2B P41595 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65
▸ CHRM4 P08173 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65

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
Quetiapine SCHEMBL3125255 0.89 DRD2 (0.64) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL3132490 0.86 DRD2 (0.76) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL2080473 0.85 DRD2 (0.79) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL8022151 0.84 DRD2 (0.80) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL13623344 0.82 DRD2 (0.59) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL13623343 0.81 DRD2 (0.60) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL2910960 0.80 DRD2 (0.68) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL3128500 0.79 KDM4E (0.79) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL4638768 0.79 DRD2 (1.00) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL7932 0.79 DRD2 (1.00) DRD2LMNACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010033270-A1 DIBENZOTHIAZEPINE MODULATORS OF DOPAMINE, ALPHA ADRENERGIC, AND SEROTONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 — — WO disclosed
US-20100069356-A1 DIBENZOTHIAZEPINE MODULATORS OF DOPAMINE, ALPHA ADRENERGIC, AND SEROTONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-18 — — US disclosed
US-20100069356-A1 DIBENZOTHIAZEPINE MODULATORS OF DOPAMINE, ALPHA ADRENERGIC, AND SEROTONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-18 — — US disclosed
US-20090291152-A1 DIBENZOTHIAZEPINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2009-11-26 — — US disclosed
US-20090291152-A1 DIBENZOTHIAZEPINE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2009-11-26 — — 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-20090291152-A1 DIBENZOTHIAZEPINE DERIVATIVES HTR1D, HTR1A, ADRA1D DRD2 22/4885LMNA 3354/4885CHRM2 57/4885
US-20100069356-A1 DIBENZOTHIAZEPINE MODULATORS OF DOPAMINE, ALPHA ADRENERGIC, AND SEROTONIN RECEPTORS ADRB2, ADRA2C, ADRA1D DRD2 5/4885LMNA 3992/4885CHRM2 36/4885

“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.