SCHEMBL10076433

SCHEMBL10076433

C#CCN(C)C(COCc1ccccc1)Cc1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.58
MAOA P21397 7/20 0.53
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1A P35348 1/20 0.51
SNCA P37840 1/20 0.51
OPRK1 P41145 1/20 0.51
CYP2D6 P10635 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PYCR1 P32322 2/20 0.41
TACR1 P25103 1/20 0.41
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL10076427 0.84 MAOB (0.57) MAOBMAOATACR1LMNAALDH1A1
SCHEMBL10076430 0.79 MAOB (0.52) MAOBTACR1LMNAALDH1A1
SCHEMBL2477506 0.79 MAOB (0.53) MAOBMAOACYP1A2TSHRADRA2A
SCHEMBL2477504 0.79 MAOB (0.53) MAOBMAOACYP1A2TSHRADRA2A
SCHEMBL2477505 0.79 MAOB (0.53) MAOBMAOACYP1A2TSHRADRA2A
SCHEMBL10076437 0.76 MAOB (0.54) MAOBMAOACYP1A2TSHRADRA2A
SCHEMBL10076413 0.76 MAOB (0.54) MAOBMAOACYP1A2TSHRADRA2A
SCHEMBL12171067 0.75 MAOB (0.74) MAOBMAOACYP1A2TSHRADRA2A
SCHEMBL12200059 0.75 MAOB (0.74) MAOBMAOACYP1A2TSHRADRA2A
SCHEMBL18756729 0.75 MAOB (0.58) MAOBMAOACYP1A2TSHRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 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 (3 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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MAOA 2/4885CYP1A2 19/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MAOA 2/4885CYP1A2 19/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MAOA 2/4885CYP1A2 19/4885

“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.