SCHEMBL10076435

SCHEMBL10076435

C#CCN(C)C(CNC(=O)CC(=O)O)Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
OPRK1 P41145 8/20 0.42
OPRM1 P35372 7/20 0.42
OPRD1 P41143 5/20 0.42
MAOA P21397 5/20 0.40
CYP1A2 P05177 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
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
PYCR1 P32322 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10076436 0.86 MAOB (0.40) MAOBOPRK1OPRM1OPRD1MAOA
SCHEMBL10076442 0.77 MAOB (0.46) MAOBOPRK1OPRM1OPRD1MAOA
SCHEMBL10076413 0.76 MAOB (0.54) MAOBOPRK1MAOACYP1A2ADRA2A
SCHEMBL10076395 0.74 MAOB (0.48) MAOBOPRK1MAOACYP1A2ADRA2A
SCHEMBL10076437 0.74 MAOB (0.54) MAOBOPRK1MAOACYP1A2ADRA2A
SCHEMBL10076438 0.73 MAOB (0.45) MAOBOPRK1OPRM1OPRD1MAOA
SCHEMBL10076396 0.71 PYCR1 (0.44) MAOBOPRK1MAOACYP1A2ADRA2A
SCHEMBL10076432 0.70 MAOB (0.38) MAOBOPRK1OPRM1OPRD1
SCHEMBL10076400 0.69 MAOB (0.73) MAOBOPRK1MAOACYP1A2ADRA2A
SCHEMBL10076445 0.69 MAOB (0.73) MAOBOPRK1MAOACYP1A2ADRA2A

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 1/4885OPRK1 278/4885OPRM1 232/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885OPRK1 278/4885OPRM1 232/4885

“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.