SCHEMBL8531102

SCHEMBL8531102

CC(C)(C)N(C(=O)O)c1ccc2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 3/20 0.43
PTGS2 P35354 1/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
RAD51 Q06609 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
GLI1 P08151 1/20 0.39
GLI2 P10070 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP2A6 P11509 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
SCHEMBL9717426 0.80 SLC6A2 (0.46) NPC1RAB9AMAPTSLC6A2SLC6A4
SCHEMBL3632143 0.79 USP2 (0.48) NPC1RAB9AMAPTSLC6A2SLC6A4
SCHEMBL16834685 0.77 ROCK2 (0.50) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL28166707 0.76 SLC6A2 (0.46) NPC1RAB9AMAPTSLC6A2SLC6A4
SCHEMBL23013668 0.76 MAOA (0.43) NPC1RAB9AMAPTSLC6A2SLC6A4
SCHEMBL15253052 0.76 MAOA (0.51) NPC1RAB9AMAPTSLC6A2SLC6A4
SCHEMBL13967147 0.76 SLC6A2 (0.44) NPC1RAB9AMAPTSLC6A2SLC6A4
SCHEMBL22418878 0.74 SLC6A2 (0.50) NPC1RAB9AMAPTSLC6A2SLC6A4
SCHEMBL29508438 0.74 MAOA (0.46) NPC1RAB9AMAPTSLC6A2SLC6A4
SCHEMBL23028621 0.74 MAOA (0.46) NPC1RAB9AMAPTSLC6A2SLC6A4

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-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

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.