SCHEMBL387604

SCHEMBL387604

CC(C)(C)OC(=O)N1CCC(C(SC=O)c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.48
GPR119 Q8TDV5 11/20 0.48
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
IDO1 P14902 3/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL6148439 0.83 MMP13 (0.54) MMP13GPR119NPC1ALDH1A1MAPT
SCHEMBL392540 0.83 GPR119 (0.42) MMP13GPR119IDO1
SCHEMBL4242463 0.82 GPR119 (0.53) MMP13GPR119NPC1ALDH1A1MAPT
SCHEMBL391328 0.81 GPR119 (0.47) MMP13GPR119USP30
SCHEMBL34461284 0.81 MMP13 (0.54) MMP13GPR119NPC1ALDH1A1MAPT
SCHEMBL27747865 0.81 MMP13 (0.49) MMP13GPR119NPC1ALDH1A1MAPT
SCHEMBL27769045 0.78 MMP13 (0.49) MMP13GPR119NPC1ALDH1A1MAPT
SCHEMBL27769007 0.77 MMP13 (0.53) MMP13GPR119NPC1ALDH1A1MAPT
SCHEMBL5649711 0.77 ALDH1A1 (0.55) MMP13GPR119NPC1ALDH1A1MAPT
SCHEMBL4771701 0.76 MMP13 (0.52) MMP13GPR119NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101626-B2 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
EP-2253311-A2 Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, as well as combination therapy relating thereto Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-7816364-B2 GRP119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto ARENA PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. 2009-10-29 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 (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-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto GPR119, GLP1R, GPR4 MMP13 536/4885GPR119 1/4885NPC1 2006/4885
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto GPR119, GLP1R, GPR4 MMP13 536/4885GPR119 1/4885NPC1 2006/4885

“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.