SCHEMBL8535983

SCHEMBL8535983

CC(C)C(=O)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.59
MAOA P21397 5/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MAPT P10636 3/20 0.58
EPHX1 P07099 2/20 0.53
PRKCI P41743 1/20 0.51
NOTUM Q6P988 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2242687 0.88 MAOA (0.59) MAOBMAOANOTUMKDM4EALDH1A1
SCHEMBL5177372 0.82 MAOB (0.83) MAOBMAOANPC1RAB9AMAPT
SCHEMBL22803696 0.82 NPC1 (0.67) MAOBMAOANPC1RAB9AMAPT
SCHEMBL8533952 0.81 NPC1 (0.58) MAOBMAOANPC1RAB9AMAPT
SCHEMBL30795393 0.81 MAOA (0.56) MAOBMAOANPC1RAB9AMAPT
SCHEMBL31668688 0.80 MAOA (0.66) MAOBMAOANPC1RAB9AMAPT
SCHEMBL4347943 0.80 NPC1 (0.69) MAOBMAOANPC1RAB9AMAPT
SCHEMBL22803315 0.80 MAOA (0.58) MAOBMAOANPC1RAB9AMAPT
SCHEMBL7038134 0.79 MAOB (0.61) MAOBMAOANPC1RAB9AMAPT
SCHEMBL1576877 0.79 NPC1 (0.63) MAOBMAOANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MAOB 1218/4885MAOA 779/4885NPC1 2032/4885
US-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 MAOB 1211/4885MAOA 1449/4885NPC1 318/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MAOB 1218/4885MAOA 779/4885NPC1 2032/4885

“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.