SCHEMBL390073

SCHEMBL390073

N#Cc1nccc2oc(-c3nc(CC4CCN(C(=O)OC5CCC5)CC4)no3)cc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.36
TPSAB1 Q15661 3/20 0.35
TPSD1 Q9BZJ3 3/20 0.35
TPSG1 Q9NRR2 3/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
GRIN2B Q13224 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMO Q99835 1/20 0.32
SCD O00767 1/20 0.32
MGLL Q99685 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL387151 0.94 JAK1 (0.36) HRH3GRIN2BGPR119
SCHEMBL391229 0.93 HRH3 (0.35) HRH3GRIN2BSCDMGLL
SCHEMBL389751 0.93 HRH3 (0.34) HRH3GRIN2BCHRM2CHRM4CHRM5
SCHEMBL386757 0.92 HRH3 (0.34) HRH3GRIN2BCHRM2CHRM4CHRM5
SCHEMBL391834 0.92 HRH3 (0.34) HRH3GRIN2BSCD
SCHEMBL388447 0.91 JAK1 (0.38) HRH3GPR119
SCHEMBL388446 0.91 JAK1 (0.38) HRH3GPR119
SCHEMBL389720 0.91 JAK1 (0.38) HRH3GPR119
SCHEMBL391559 0.89 JAK1 (0.35) GRIN2BCHRM2CHRM4CHRM5CHRM1
SCHEMBL388767 0.89 KCNH2 (0.40) GRIN2BCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193359-B2 G-protein coupled receptor agonists PROSIDION LIMITED (GB) 2012-06-05 US claimed
US-8193359-B2 G-protein coupled receptor agonists PROSIDION LIMITED (GB) 2012-06-05 US disclosed
US-8193359-B2 G-protein coupled receptor agonists PROSIDION LIMITED (GB) 2012-06-05 US disclosed
US-8193359-B2 G-protein coupled receptor agonists PROSIDION LIMITED (GB) 2012-06-05 US disclosed
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
US-20090099227-A1 G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-04-16 US disclosed
US-20090099227-A1 G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-04-16 US disclosed
US-20090099227-A1 G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-04-16 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-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 HRH3 520/4885TPSAB1 1101/4885TPSD1 1986/4885
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 HRH3 520/4885TPSAB1 1101/4885TPSD1 1986/4885
US-20090099227-A1 G-Protein Coupled Receptor Agonists GPR119, GPR65, GPR84 HRH3 1824/4885TPSAB1 2197/4885TPSD1 2240/4885

“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.