SCHEMBL23709366

SCHEMBL23709366

c1ccc(COc2ccc3c(c2)CNCCO3)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.62
MAOA P21397 11/20 0.62
GRM5 P41594 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HRH3 Q9Y5N1 1/20 0.45
ALOX5 P09917 1/20 0.44
ACHE P22303 1/20 0.44
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43

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
Hydrochloric Acid SCHEMBL23538216 0.99 MAOB (0.60) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL2983382 0.90 MAOB (0.62) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL21780864 0.80 MAOB (0.67) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL30539326 0.80 MAOB (0.67) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL3503754 0.78 HRH3 (0.59) MAOBMAOAHRH3
SCHEMBL1020646 0.78 CD274 (0.61) MAOBMAOAHRH3ALOX5
SCHEMBL29474892 0.78 HRH3 (0.59) MAOBMAOAHRH3
SCHEMBL21213879 0.77 MAOB (1.00) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL21412915 0.77 MAOB (0.67) MAOBMAOAGRM5NPC1ALDH1A1
Hydrochloric Acid SCHEMBL30515385 0.77 HRH3 (0.58) MAOBMAOAHRH3

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 MAOB 2616/4885MAOA 3320/4885GRM5 1537/4885

“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.