SCHEMBL10033802

SCHEMBL10033802

C#CCN(C)Cc1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.68
▸ PYCR1 P32322 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ RAB9A P51151 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ BLM P54132 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ ACE P12821 2/20 0.50
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ CTSB P07858 1/20 0.48

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
SCHEMBL10033800 0.88 RAB9A (0.53) PTPN1PYCR1LMNAUSP2CYP3A4
SCHEMBL28965860 0.78 PTPN1 (0.65) PTPN1RAB9AALDH1A1SMN1; SMN2CA2
SCHEMBL28965859 0.78 PTPN1 (0.65) PTPN1RAB9AALDH1A1SMN1; SMN2CA2
SCHEMBL5249094 0.78 PTPN1 (0.72) PTPN1RAB9AALDH1A1CA2CA1
SCHEMBL528464 0.77 ACE (0.76) PTPN1ALDH1A1CA2CA1ACE
SCHEMBL111236 0.77 ACE (0.76) PTPN1ALDH1A1CA2CA1ACE
SCHEMBL111235 0.77 ACE (0.76) PTPN1ALDH1A1CA2CA1ACE
SCHEMBL4682004 0.76 PTPN1 (0.70) PTPN1RAB9AALDH1A1CA2CA1
SCHEMBL10526607 0.76 PTPN1 (0.70) PTPN1RAB9AALDH1A1CA2CA1
SCHEMBL4166657 0.76 PTPN1 (0.70) PTPN1RAB9AALDH1A1CA2CA1

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 PTPN1 2646/4885PYCR1 975/4885LMNA 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.

Send feedback