SCHEMBL6714591

SCHEMBL6714591

O=S1(=O)c2ccccc2CN1CCN1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.57
HTR1A P08908 2/20 0.47
HTR1B P28222 2/20 0.47
SORD Q00796 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR1D P28221 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2C P28335 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41

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
Hydrochloric Acid SCHEMBL6714596 0.84 HRH4 (0.56) HRH4HTR1AHTR1BSORDADRA1D
Hydrochloric Acid SCHEMBL6712709 0.81 HTR1A (0.54) HTR1AHTR2CDRD2DRD3
SCHEMBL6712772 0.81 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6714260 0.79 HTR1A (0.55) HTR1ADRD2DRD3
SCHEMBL6714160 0.76 HRH4 (0.67) HRH4HTR1AHTR1BSORDHTR1D
SCHEMBL6714657 0.75 HRH4 (0.55) HRH4HTR1AHTR1BADRA1DADRA1A
SCHEMBL7085853 0.75 HRH4 (0.55) HRH4HTR1AHTR1BSORDADRA1D
SCHEMBL605232 0.75 HRH4 (1.00) HRH4SORDHTR2C
SCHEMBL9224900 0.74 HRH4 (0.63) HRH4HTR1AHTR1BSORDHTR1D
SCHEMBL6711645 0.74 ALDH1A1 (0.48) HTR1AADRA1DADRA1AADRA1BDRD2

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 HRH4 937/4885HTR1A 1/4885HTR1B 8/4885

“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.