SCHEMBL6712772

SCHEMBL6712772

O=S1(=O)c2ccccc2CN1CCN1CCN(c2ncccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.54
DRD2 P14416 6/20 0.54
DRD3 P35462 6/20 0.54
DRD4 P21917 4/20 0.54
HTR2A P28223 3/20 0.54
HTR7 P34969 3/20 0.54
HTR6 P50406 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ABCB11 O95342 1/20 0.54
CYP1A2 P05177 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ADRA1D P25100 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
KDM1A O60341 1/20 0.46
DRD1 P21728 1/20 0.45

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
SCHEMBL6714260 0.88 HTR1A (0.55) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL9481428 0.81 HTR1A (0.60) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL6714591 0.81 HRH4 (0.57) HTR1ADRD2DRD3DRD4ADRA1D
SCHEMBL6711645 0.78 ALDH1A1 (0.48) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL6719642 0.78 HTR3E (0.54) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL9400863 0.76 HTR1A (0.68) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL9480366 0.76 HTR1A (0.68) HTR1ADRD2DRD3DRD4HTR2A
Hydrochloric Acid SCHEMBL6712709 0.76 HTR1A (0.54) HTR1ADRD2DRD3HTR2AHTR7
Hydrochloric Acid SCHEMBL6719032 0.74 DRD3 (0.50) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL9400845 0.74 HTR1A (0.87) HTR1ADRD2DRD3DRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138203-A1 Bicyclic lactams and sulfonamides with 5-ht1a -affinity and use thereof for preventing and treating cerebral ischaemia STEINER GERD 2004-07-15 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 (1 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-20040138203-A1 Bicyclic lactams and sulfonamides with 5-ht1a -affinity and use thereof for preventing and treating cerebral ischaemia HTR1A, HTR5A, HTR2C HTR1A 1/4885DRD2 83/4885DRD3 178/4885

“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.