SCHEMBL218912

SCHEMBL218912

CCOP(=O)(OCC)N(C)CC(Oc1cccc2ccccc12)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.55
SLC6A4 P31645 8/20 0.55
SLC6A3 Q01959 7/20 0.55
HTR1A P08908 2/20 0.54
MLNR O43193 1/20 0.54
CACNA1F O60840 1/20 0.54
CYP1A2 P05177 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
DRD2 P14416 1/20 0.54
KCNE1 P15382 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
MC4R P32245 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL2738891 0.89 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL2738889 0.86 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL2738893 0.84 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL2738890 0.83 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL13689324 0.82 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL2738892 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4573597 0.78 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4573568 0.78 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Phosphoric Acid SCHEMBL1535335 0.77 CACNA2D1 (0.67) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL12212180 0.76 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR

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-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 SLC6A2 1062/4885SLC6A4 380/4885SLC6A3 524/4885

“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.