SCHEMBL10076396

SCHEMBL10076396

C#CCN(C)C(Cc1ccc(C)cc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.44
MAOB P27338 11/20 0.43
MAOA P21397 10/20 0.43
CYP1A2 P05177 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
SNCA P37840 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ACHE P22303 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 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
SCHEMBL12532745 0.89 MAOB (0.46) PYCR1MAOBMAOACYP1A2ADRA2A
SCHEMBL10076395 0.85 MAOB (0.48) PYCR1MAOBMAOACYP1A2ADRA2A
SCHEMBL10076445 0.73 MAOB (0.73) PYCR1MAOBMAOACYP1A2ADRA2A
SCHEMBL10076400 0.73 MAOB (0.73) PYCR1MAOBMAOACYP1A2ADRA2A
SCHEMBL10076436 0.73 MAOB (0.40) PYCR1MAOBMAOACYP1A2ADRA2A
SCHEMBL10076413 0.73 MAOB (0.54) PYCR1MAOBMAOACYP1A2ADRA2A
SCHEMBL10076451 0.71 PYCR1 (0.49) PYCR1MAOBMAOACYP1A2ADRA2A
SCHEMBL10076435 0.71 MAOB (0.46) PYCR1MAOBMAOACYP1A2ADRA2A
SCHEMBL16327191 0.71 PTPRB (0.59) ATML3MBTL1ESR1ESR2ACACB
SCHEMBL17833257 0.70 ADRA2B (0.51) ADRA2BADRA2CADRA1AOPRK1ATM

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 PYCR1 987/4885MAOB 1/4885MAOA 2/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 PYCR1 987/4885MAOB 1/4885MAOA 2/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 PYCR1 987/4885MAOB 1/4885MAOA 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.