SCHEMBL10033810

SCHEMBL10033810

C#CCN(C)Cc1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 12/20 0.68
▸ LMNA P02545 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LTB4R2 Q9NPC1 1/20 0.51
▸ ACHE P22303 1/20 0.49
▸ KMO O15229 1/20 0.49
▸ MEP1B Q16820 1/20 0.46

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
SCHEMBL10033808 0.83 PYCR1 (0.55) PYCR1LMNAMAOBUSP2CYP3A4
SCHEMBL10033801 0.82 PYCR1 (0.79) PYCR1LMNAMAOBUSP2CYP3A4
SCHEMBL10033812 0.78 PYCR1 (0.48) PYCR1ACHE
SCHEMBL13756311 0.74 BCL2 (0.71) LMNAALDH1A1LTB4R2KMO
SCHEMBL10243325 0.74 BCL2 (0.71) LMNAALDH1A1LTB4R2KMO
Trimethylammonium SCHEMBL27623058 0.74 KMO (0.81) LMNATSHRKMO
SCHEMBL14683877 0.73 KMO (0.87) LMNAKMO
SCHEMBL29577419 0.73 KMO (0.87) LMNAKMO
SCHEMBL5154732 0.73 KMO (0.67) LMNALTB4R2KMO
SCHEMBL1855849 0.73 KMO (0.67) LMNAKMO

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 5 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-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
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 975/4885LMNA 1769/4885MAOB 2/4885

“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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