SCHEMBL23701147

SCHEMBL23701147

C=CCOc1ccc(COc2ccc3c(c2)CN(CC=O)CC3)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
HRH3 Q9Y5N1 6/20 0.37
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
OPRK1 P41145 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
REV1 Q9UBZ9 1/20 0.33

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
SCHEMBL23701302 0.82 ADRA2A (0.42) ADRA2AADRA2BADRA2CHRH3
SCHEMBL23538141 0.81 HRH3 (0.51) ADRA2AADRA2BADRA2CHRH3
SCHEMBL23562089 0.78 NR1H2 (0.50) ADRA2AADRA2BADRA2CHRH3
SCHEMBL23562088 0.75 ADRA2A (0.63) ADRA2AADRA2BADRA2CHRH3
SCHEMBL23562096 0.74 STS (0.41) ABCB1HRH3OPRK1OPRM1OPRD1
Hydrochloric Acid SCHEMBL23538226 0.74 ADRA2A (0.62) ADRA2AADRA2BADRA2CHRH3
Hydrochloric Acid SCHEMBL30014539 0.74 ADRA2A (0.62) ADRA2AADRA2BADRA2CHRH3
SCHEMBL23562087 0.74 STS (0.38) HRH3
SCHEMBL23537833 0.70 HRH3 (0.40) ABCB1HRH3
SCHEMBL30014439 0.70 ADRA2A (0.41) ADRA2AADRA2BADRA2C

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-20210236663-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-08-05 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 (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-20210236663-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 ADRA2A 4512/4885ADRA2B 4333/4885ADRA2C 4465/4885

“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.