SCHEMBL3327776

SCHEMBL3327776

CC(C)(C)OC(=O)N1CCO[C@H]([C@H](O)c2cccc(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.44
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
PDE4B Q07343 1/20 0.40
TP53 P04637 2/20 0.40
HPGDS O60760 2/20 0.39
USP30 Q70CQ3 2/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13299453 1.00 GPR119 (0.44) GPR119GRM5GRM1PDE4BTP53
SCHEMBL3329066 1.00 GPR119 (0.44) GPR119GRM5GRM1PDE4BTP53
SCHEMBL3325332 1.00 GPR119 (0.44) GPR119GRM5GRM1PDE4BTP53
SCHEMBL5289397 0.88 PDE4B (0.40) GPR119PDE4BUSP30USP2SMN1; SMN2
SCHEMBL970287 0.88 STS (0.44) GRM5PDE4BTP53USP30SMN1; SMN2
SCHEMBL970289 0.88 STS (0.44) GRM5PDE4BTP53USP30SMN1; SMN2
SCHEMBL970288 0.88 STS (0.44) GRM5PDE4BTP53USP30SMN1; SMN2
SCHEMBL5289408 0.88 PDE4B (0.40) GPR119PDE4BUSP30USP2SMN1; SMN2
SCHEMBL5289403 0.88 PDE4B (0.40) GPR119PDE4BUSP30USP2SMN1; SMN2
SCHEMBL5705724 0.87 USP2 (0.41) GPR119GRM5GRM1PDE4BUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 EP disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 US disclosed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 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 (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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 GPR119 160/4885GRM5 196/4885GRM1 297/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 GPR119 920/4885GRM5 337/4885GRM1 494/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B GPR119 1216/4885GRM5 180/4885GRM1 423/4885

“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.