SCHEMBL10076442

SCHEMBL10076442

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.46
PYCR1 P32322 1/20 0.42
MAOA P21397 8/20 0.41
CYP1A2 P05177 2/20 0.40
OPRK1 P41145 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
SNCA P37840 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
HCRTR2 O43614 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL10076435 0.77 MAOB (0.46) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL10076413 0.76 MAOB (0.54) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL10076437 0.76 MAOB (0.54) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL10076436 0.73 MAOB (0.40) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL10076400 0.71 MAOB (0.73) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL10076445 0.71 MAOB (0.73) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL2477505 0.70 MAOB (0.53) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL2477504 0.70 MAOB (0.53) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL2477506 0.70 MAOB (0.53) MAOBPYCR1MAOACYP1A2OPRK1
SCHEMBL10076451 0.70 PYCR1 (0.49) MAOBPYCR1MAOACYP1A2OPRK1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885PYCR1 987/4885MAOA 2/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885PYCR1 987/4885MAOA 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.