SCHEMBL6404682

SCHEMBL6404682

COc1ccccc1-n1c(SCCCCc2ccccc2)nnc1-c1ncco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.50
DRD2 P14416 6/20 0.50
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA2C P18825 2/20 0.42
HRH2 P25021 2/20 0.42
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR2B P41595 2/20 0.42
APLNR P35414 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL6408420 0.85 ALDH1A1 (0.62) TSHRALDH1A1NPC1HPGDL3MBTL1
SCHEMBL6408452 0.84 TSHR (0.62) DRD3DRD2TSHRHTR1AADRA2C
SCHEMBL6403375 0.83 TSHR (0.47) DRD3DRD2TSHRNPC1HPGD
SCHEMBL6402376 0.83 TSHR (0.50) DRD3DRD2TSHRALDH1A1HTR1A
SCHEMBL6408474 0.82 TSHR (0.55) DRD3DRD2TSHRALDH1A1HPGD
SCHEMBL6403506 0.82 L3MBTL1 (0.60) DRD3DRD2TSHRALDH1A1NPC1
SCHEMBL6409759 0.81 TSHR (0.56) DRD3DRD2TSHRALDH1A1HPGD
SCHEMBL6407795 0.81 TSHR (0.48) DRD3DRD2TSHRALDH1A1HTR1A
SCHEMBL6403466 0.81 DRD2 (0.51) DRD3DRD2TSHRALDH1A1L3MBTL1
SCHEMBL6405379 0.81 TSHR (0.63) DRD3DRD2TSHRHTR1AADRA2C

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT DRD3 2876/4885DRD2 3842/4885TSHR 3470/4885

“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.