SCHEMBL3329455

SCHEMBL3329455

CC(C)(C)OC(=O)N1CCO[C@H]([C@H](O)c2ccccn2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.47
USP30 Q70CQ3 5/20 0.43
ADORA2A P29274 3/20 0.42
ADORA2B P29275 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
GRM5 P41594 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.40
GRM1 Q13255 1/20 0.40
HPGDS O60760 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3192718 1.00 GPR119 (0.47) GPR119USP30ADORA2AADORA2BADORA3
SCHEMBL3328734 0.84 GPR119 (0.42) GPR119USP30ADORA2AADORA2BADORA3
SCHEMBL3332874 0.83 USP30 (0.45) GPR119USP30HPGDSUSP2SMN1; SMN2
SCHEMBL3329651 0.83 USP30 (0.45) GPR119USP30HPGDSUSP2SMN1; SMN2
SCHEMBL3185439 0.83 USP30 (0.45) GPR119USP30HPGDSUSP2SMN1; SMN2
SCHEMBL3329274 0.83 USP30 (0.45) GPR119USP30HPGDSUSP2SMN1; SMN2
SCHEMBL4937728 0.83 TP53 (0.43) ADORA2ATP53
SCHEMBL4937735 0.83 TP53 (0.43) ADORA2ATP53
SCHEMBL16634182 0.83 GPR119 (0.44) GPR119USP30ADORA2AADORA2BADORA3
SCHEMBL16634184 0.83 GPR119 (0.44) GPR119USP30ADORA2AADORA2BADORA3

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-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

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-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 920/4885USP30 4534/4885ADORA2A 1809/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B GPR119 1216/4885USP30 3956/4885ADORA2A 639/4885

“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.