SCHEMBL6707943

SCHEMBL6707943

C1=C(c2csc3ccccc23)CCN(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.59
HTR1A P08908 7/20 0.59
HTR2A P28223 4/20 0.59
HTT P42858 1/20 0.59
DRD4 P21917 6/20 0.55
DRD3 P35462 5/20 0.55
HTR6 P50406 3/20 0.52
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 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
SCHEMBL6042752 0.77 DRD2 (0.63) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL11874262 0.77 HTR6 (0.55) DRD2HTR1ADRD4HTR6SLC6A4
SCHEMBL2395932 0.76 DRD4 (0.67) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL7543848 0.74 HTR1A (1.00) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL2395487 0.74 DRD2 (0.59) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL6043002 0.74 DRD2 (0.59) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL11784970 0.73 HTR6 (0.65) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL6041614 0.73 DRD2 (0.58) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL1719798 0.73 DRD2 (0.76) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL6585625 0.73 DRD4 (0.63) DRD2HTR1AHTR2AHTTDRD4

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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 DRD2 1008/4885HTR1A 959/4885HTR2A 526/4885

“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.