SCHEMBL8533952

SCHEMBL8533952

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MAPT P10636 3/20 0.58
MAOA P21397 5/20 0.56
MAOB P27338 4/20 0.56
KDM4E B2RXH2 1/20 0.55
PRKCI P41743 1/20 0.51
NOTUM Q6P988 1/20 0.51
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX1 P07099 1/20 0.50
ALOX15 P16050 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
SCHEMBL7038134 0.85 MAOB (0.61) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL8535983 0.81 MAOB (0.59) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL7483289 0.80 MAOA (0.66) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL2076885 0.80 MAOA (0.56) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL30937482 0.80 MAOA (0.56) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL5177372 0.79 MAOB (0.83) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL22803696 0.78 NPC1 (0.67) NPC1RAB9AMAPTMAOAMAOB
SCHEMBL12060150 0.78 ROCK2 (0.66) NPC1RAB9AMAOB
SCHEMBL16150269 0.78 KIT (0.56) KDM4EHPGDALOX15
SCHEMBL30795393 0.77 MAOA (0.56) NPC1RAB9AMAPTMAOAMAOB

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 5 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
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
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO 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 (1 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-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 NPC1 318/4885RAB9A 1090/4885MAPT 4305/4885

“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.