SCHEMBL9110045

SCHEMBL9110045

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](CN)Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
MMP13 P45452 1/20 0.44
GPR119 Q8TDV5 10/20 0.43
MAPT P10636 1/20 0.43
TACR1 P25103 1/20 0.42
TGFBR1 P36897 1/20 0.41
SCN9A Q15858 1/20 0.41
EPHX2 P34913 1/20 0.41
STS P08842 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
SCHEMBL9110055 1.00 DPP4 (0.45) DPP4MMP13GPR119MAPTTACR1
SCHEMBL9108220 0.91 MMP13 (0.45) DPP4MMP13GPR119MAPTTACR1
SCHEMBL9108211 0.91 MMP13 (0.45) DPP4MMP13GPR119MAPTTACR1
SCHEMBL14837995 0.89 MMP13 (0.43) DPP4MMP13GPR119MAPTTACR1
SCHEMBL9107358 0.89 MMP13 (0.45) DPP4MMP13GPR119MAPTTACR1
SCHEMBL9107353 0.89 MMP13 (0.45) DPP4MMP13GPR119MAPTTACR1
SCHEMBL1689415 0.89 MMP13 (0.43) DPP4MMP13GPR119MAPTTACR1
SCHEMBL14813406 0.87 MMP13 (0.46) MMP13GPR119MAPTTACR1TGFBR1
SCHEMBL1689452 0.87 MMP13 (0.46) MMP13GPR119MAPTTACR1TGFBR1
SCHEMBL9108738 0.86 MMP13 (0.46) MMP13GPR119MAPTTACR1TGFBR1

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-8637568-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-01-28 US disclosed
US-8637568-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-01-28 US disclosed
US-8637568-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-01-28 US disclosed
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-11-07 US disclosed
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-11-07 US disclosed
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-11-07 US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 US disclosed
WO-2012075239-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 WO disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 US disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 US disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 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-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 DPP4 2625/4885MMP13 4193/4885GPR119 619/4885
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 DPP4 2625/4885MMP13 4193/4885GPR119 619/4885

“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.