SCHEMBL1280207

SCHEMBL1280207

CC(C)(C)OC(=O)N1CCC([C@H](CCSc2ccccc2)Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
MMP13 P45452 1/20 0.42
USP30 Q70CQ3 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RORC P51449 1/20 0.40
TGFBR1 P36897 1/20 0.40
MAPT P10636 1/20 0.39
SCN9A Q15858 1/20 0.38
SLC6A9 P48067 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
SCHEMBL1279865 1.00 TACR1 (0.44) TACR1GPR119MMP13USP30JAK2
SCHEMBL16380488 1.00 TACR1 (0.44) TACR1GPR119MMP13USP30JAK2
SCHEMBL1280205 1.00 TACR1 (0.44) TACR1GPR119MMP13USP30JAK2
SCHEMBL1279861 1.00 TACR1 (0.44) TACR1GPR119MMP13USP30JAK2
SCHEMBL12468333 0.90 PPARG (0.39) SCN9ASLC6A9
SCHEMBL14837995 0.85 MMP13 (0.43) TACR1GPR119MMP13TGFBR1MAPT
SCHEMBL1689415 0.85 MMP13 (0.43) TACR1GPR119MMP13TGFBR1MAPT
SCHEMBL9108211 0.85 MMP13 (0.45) TACR1GPR119MMP13TGFBR1MAPT
SCHEMBL9108220 0.85 MMP13 (0.45) TACR1GPR119MMP13TGFBR1MAPT
SCHEMBL9110045 0.84 DPP4 (0.45) TACR1GPR119MMP13TGFBR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000191-B2 Serotonin reuptake inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-07 US disclosed
EP-2627630-B1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE BIOPHARMA R & D IP LLC (US) 2014-12-31 EP disclosed
US-20140243536-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2014-08-28 US disclosed
US-8729119-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-05-20 US disclosed
US-20130253013-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-09-26 US disclosed
US-8471040-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-06-25 US disclosed
US-20120088799-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-04-12 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-20130253013-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 TACR1 52/4885GPR119 628/4885MMP13 3853/4885
US-20120088799-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 TACR1 52/4885GPR119 628/4885MMP13 3853/4885
US-20140243536-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 TACR1 52/4885GPR119 628/4885MMP13 3853/4885

“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.