SCHEMBL10033796

SCHEMBL10033796

C#CCN(C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 10/20 0.71
MAOB P27338 4/20 0.71
MAOA P21397 3/20 0.71
LMNA P02545 2/20 0.71
USP2 O75604 1/20 0.71
CYP3A4 P08684 1/20 0.71
TSHR P16473 1/20 0.71
ALDH1A1 P00352 1/20 0.69
BLM P54132 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ALOX5 P09917 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
Pargyline SCHEMBL2045 0.84 PYCR1 (1.00) PYCR1MAOBMAOALMNAUSP2
Pargyline SCHEMBL18036659 0.84 PYCR1 (1.00) PYCR1MAOBMAOALMNAUSP2
Pargyline SCHEMBL7363311 0.82 PYCR1 (0.96) PYCR1MAOBMAOALMNAUSP2
Pargyline SCHEMBL121111 0.82 LMNA (1.00) PYCR1MAOBMAOALMNAUSP2
SCHEMBL28270439 0.79 ALDH1A1 (0.63) MAOBMAOALMNATSHRALDH1A1
SCHEMBL14125440 0.78 PYCR1 (0.61) PYCR1MAOBMAOALMNAUSP2
SCHEMBL10076414 0.78 MAOB (1.00) MAOBMAOATSHR
SCHEMBL12532789 0.78 MAOB (1.00) MAOBMAOATSHR
Pargyline SCHEMBL2657939 0.78 PYCR1 (0.86) PYCR1MAOBMAOALMNAUSP2
SCHEMBL29235425 0.78 PYCR1 (1.00) 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 3 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
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

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.