SCHEMBL21783311

SCHEMBL21783311

OC1C=Cc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.60
DRD2 P14416 3/20 0.60
HTR2A P28223 3/20 0.60
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRA2A P08913 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD1 P21728 1/20 0.60
DRD4 P21917 1/20 0.60
DRD5 P21918 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR2C P28335 1/20 0.60
HTR1E P28566 1/20 0.60
SLC6A4 P31645 1/20 0.60
GPR183 P32249 1/20 0.60
HTR7 P34969 1/20 0.60

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
SCHEMBL19549056 0.89 HTR1A (0.59) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL28981516 0.88 HTR1A (0.59) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL30124153 0.84 DRD2 (0.62) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL19549049 0.84 DRD2 (0.62) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL19088099 0.83 HTR1A (0.61) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL4302011 0.81 HTR1A (0.65) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL4302769 0.81 HTR1A (0.65) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL19888525 0.79 DRD2 (0.67) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL19563749 0.78 DRD2 (0.64) HTR1ADRD2HTR2AADRB2ADRB1
SCHEMBL1037444 0.78 DRD2 (0.64) HTR1ADRD2HTR2AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11123300-B2 Immediate release tablet of a benzothiophene compound HEXAL AG (DE) 2021-09-21 US disclosed
US-20200069593-A1 Immediate Release Tablet of a Benzothiophene Compound HEXAL AG (DE) 2020-03-05 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-20200069593-A1 Immediate Release Tablet of a Benzothiophene Compound SLC18A1, BRIX1, SLC6A4 HTR1A 14/4885DRD2 878/4885HTR2A 37/4885
US-11123300-B2 Immediate release tablet of a benzothiophene compound SLC18A1, BRIX1, SLC6A4 HTR1A 14/4885DRD2 878/4885HTR2A 37/4885

“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.