SCHEMBL789907

SCHEMBL789907

CC(C)(C)OC(=O)N1CCC(NC(=O)C(Br)CCBr)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX2 P34913 3/20 0.45
HPGD P15428 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL2597299 0.93 EPHX1 (0.53) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL8559580 0.85 HPGD (0.52) ALDH1A1L3MBTL1MAPK1HPGDMEN1
SCHEMBL12334116 0.83 EPHX1 (0.47) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL789128 0.80 EPHX2 (0.35) EPHX1ALDH1A1EPHX2KMT2AKDM4E
SCHEMBL788997 0.80 EPHX2 (0.36) EPHX1RAB9AEPHX2HPGDKDM4E
SCHEMBL16558896 0.80 EPHX1 (0.65) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL18745232 0.79 EPHX1 (0.60) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL3069244 0.79 EPHX1 (0.63) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL3071185 0.79 EPHX1 (0.63) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL15114600 0.78 FPR2 (0.41) EPHX1ALDH1A1EPHX2FPR2KDM4E

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-20140256756-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2014-09-11 US disclosed
EP-2616074-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-07-24 EP disclosed
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-07-18 US disclosed
WO-2013066869-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-10 WO disclosed
WO-2012037393-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2012-03-22 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 (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-20140256756-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GLP1R EPHX1 3573/4885ALDH1A1 2778/4885L3MBTL1 3630/4885
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR180 EPHX1 3454/4885ALDH1A1 2465/4885L3MBTL1 3115/4885

“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.