SCHEMBL10076432

SCHEMBL10076432

Cc1ccc(CC(CO)N(C)CC#CCC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.38
FFAR1 O14842 2/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ACACB O00763 1/20 0.34
KMT2A Q03164 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRD5A2 P31213 1/20 0.33
MEN1 O00255 1/20 0.33
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32

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 0.81 MAOB (0.57) MAOBPPARGPPARA
SCHEMBL10076413 0.80 MAOB (0.54) MAOBOPRK1
SCHEMBL17931621 0.80 MAOB (0.48) MAOBFFAR1OPRM1OPRD1OPRK1
SCHEMBL10076430 0.72 MAOB (0.52) MAOBKMT2A
SCHEMBL10076435 0.70 MAOB (0.46) MAOBOPRM1OPRD1OPRK1
SCHEMBL2127310 0.70 MAOB (0.72) MAOBOPRK1
SCHEMBL693555 0.70 MAOB (0.72) MAOBOPRK1
SCHEMBL694164 0.70 MAOB (0.72) MAOBOPRK1
SCHEMBL17931603 0.70 MAOB (0.46) MAOBFFAR1OPRM1OPRD1OPRK1
SCHEMBL17931620 0.68 ACACB (0.37) MAOBOPRM1OPRD1OPRK1ACACB

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 1/4885FFAR1 565/4885OPRM1 232/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885FFAR1 565/4885OPRM1 232/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885FFAR1 565/4885OPRM1 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.