SCHEMBL711329

SCHEMBL711329

C#CCN(C)Cc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 17/20 0.70
MAOB P27338 2/20 0.68
LMNA P02545 2/20 0.67
USP2 O75604 1/20 0.67
CYP3A4 P08684 1/20 0.67
TSHR P16473 1/20 0.67
MAOA P21397 1/20 0.67
ALDH1A1 P00352 1/20 0.65
BLM P54132 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ACHE P22303 1/20 0.50

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
SCHEMBL10033809 0.82 PYCR1 (1.00) PYCR1MAOBLMNAUSP2CYP3A4
SCHEMBL8244727 0.82 PYCR1 (0.72) PYCR1MAOBLMNAUSP2CYP3A4
SCHEMBL9416592 0.81 BCHE (0.53) MAOBMAOAALDH1A1ACHE
SCHEMBL5680713 0.81 PYCR1 (0.70) PYCR1MAOBLMNAUSP2CYP3A4
Pargyline SCHEMBL18036659 0.80 PYCR1 (1.00) PYCR1MAOBLMNAUSP2CYP3A4
Pargyline SCHEMBL2045 0.80 PYCR1 (1.00) PYCR1MAOBLMNAUSP2CYP3A4
SCHEMBL10033801 0.79 PYCR1 (0.79) PYCR1MAOBLMNAUSP2CYP3A4
Pargyline SCHEMBL7363311 0.78 PYCR1 (0.96) PYCR1MAOBLMNAUSP2CYP3A4
Pargyline SCHEMBL121111 0.78 LMNA (1.00) PYCR1MAOBLMNAUSP2CYP3A4
SCHEMBL29235425 0.78 PYCR1 (1.00) PYCR1MAOBLMNAUSP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539078-B Active small molecular probe for specifically sorting monoamine oxidase, preparation method and application thereof 南京工业大学 2023-04-07 CN claimed
CN-114539078-A Active small molecular probe for specifically sorting monoamine oxidase, preparation method and application thereof 南京工业大学 2022-05-27 CN claimed
CN-114544571-B Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2023-04-18 CN disclosed
CN-114539078-B Active small molecular probe for specifically sorting monoamine oxidase, preparation method and application thereof 南京工业大学 2023-04-07 CN disclosed
CN-114544571-A Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2022-05-27 CN disclosed
CN-114539078-A Active small molecular probe for specifically sorting monoamine oxidase, preparation method and application thereof 南京工业大学 2022-05-27 CN disclosed
US-8124802-B2 e.g. N-methyl-N-propargyl-4-hydroxybenzyl amine; monoamine oxidase inhibitors; are mediated via a peripheral (i.e., non-CNS) mechanism; antidiabetic agent, metabolic disordes, obesity, insulin resistance JENRIN DISCOVERY, INC. (US) 2012-02-28 US disclosed
US-8124802-B2 e.g. N-methyl-N-propargyl-4-hydroxybenzyl amine; monoamine oxidase inhibitors; are mediated via a peripheral (i.e., non-CNS) mechanism; antidiabetic agent, metabolic disordes, obesity, insulin resistance JENRIN DISCOVERY, INC. (US) 2012-02-28 US disclosed
WO-2008092091-A2 MAO INHIBITING N-BENZYL-N-PROPARGYL-AMINES USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-07-31 WO disclosed
WO-2008092091-A2 MAO INHIBITING N-BENZYL-N-PROPARGYL-AMINES USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-07-31 WO disclosed
US-20080182824-A1 MAO INHIBITING N-BENZYL-N-PROPARGYL-AMINES USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-07-31 US disclosed
US-20080182824-A1 MAO INHIBITING N-BENZYL-N-PROPARGYL-AMINES USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-07-31 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-20080182824-A1 MAO INHIBITING N-BENZYL-N-PROPARGYL-AMINES USEFUL FOR TREATING OBESITY MAOA, MAOB, PNMT PYCR1 975/4885MAOB 2/4885LMNA 1769/4885

“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.