SCHEMBL10033792

SCHEMBL10033792

C#CCN(C)Cc1ccc(NCC(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 16/20 0.58
▸ MAOB P27338 4/20 0.51
▸ MAOA P21397 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ACHE P22303 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC5 Q9UQL6 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
SCHEMBL10033790 0.82 PYCR1 (0.53) PYCR1MAOBMAOALMNAUSP2
SCHEMBL14125330 0.76 PYCR1 (0.66) PYCR1MAOBMAOALMNAUSP2
SCHEMBL27391448 0.75 PYCR1 (0.72) PYCR1MAOBMAOALMNAUSP2
SCHEMBL29141681 0.74 PYCR1 (0.61) PYCR1MAOBMAOALMNAUSP2
SCHEMBL14125331 0.74 PYCR1 (0.64) PYCR1MAOBMAOALMNAUSP2
SCHEMBL10033801 0.73 PYCR1 (0.79) PYCR1MAOBMAOALMNAUSP2
SCHEMBL610837 0.72 PYCR1 (0.72) PYCR1MAOBMAOALMNAUSP2
SCHEMBL10033791 0.72 PYCR1 (0.57) PYCR1MAOBMAOALMNAUSP2
SCHEMBL711329 0.72 PYCR1 (0.70) PYCR1MAOBMAOALMNAUSP2
SCHEMBL5680713 0.72 PYCR1 (0.70) PYCR1MAOBMAOALMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2/4885MAOA 1/4885

“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.

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