SCHEMBL29688552

SCHEMBL29688552

c1ccc2[nH]c(C3CCNCC3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR2C P28335 6/20 0.44
HTR2A P28223 2/20 0.44
KCNH2 Q12809 1/20 0.44
ADRB2 P07550 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
AOC3 Q16853 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL1237690 1.00 MAOB (0.49) MAOBBCHEACHESLC18A3SIGMAR1
Oxalic Acid SCHEMBL7859833 0.91 MAOB (0.52) MAOBBCHEACHESLC18A3SIGMAR1
SCHEMBL73543 0.89 AOC3 (0.47) MAOBAOC3MAPTSLC6A4SLC6A3
SCHEMBL3640169 0.85 AOC3 (0.44) AOC3MAPTHTR7
SCHEMBL10441226 0.84 AOC3 (0.42) AOC3HTR7
SCHEMBL5584506 0.81 AOC3 (0.40) AOC3MAPTSLC6A4HTR7SLC6A3
SCHEMBL2467564 0.80 HTR2A (0.49) HTR2CHTR2AKCNH2
SCHEMBL23010839 0.78 TLR9 (0.47) HTR2CHRH4SLC6A2SLC6A4SLC6A3
SCHEMBL22773267 0.78 MAPK1 (0.46) KCNH2MAPTTHRBHTR3A
SCHEMBL7859535 0.78 HRH4 (0.46) HRH4HRH3MAPTSLC6A4HTR3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362151-B Arylpiperidines as monoacylglycerol lipase modulators 詹森药业有限公司 2025-02-11 CN disclosed
CN-115362151-A Aryl piperidines as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 CN disclosed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY MAOB 71/4885BCHE 2211/4885ACHE 1188/4885

“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.