SCHEMBL1278998

SCHEMBL1278998

CS(=O)(=O)C[C@H](Oc1ccc(C(F)(F)F)cc1)[C@@H]1CCNC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 11/20 0.55
▸ SLC6A4 P31645 11/20 0.55
▸ SLC6A3 Q01959 4/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL14813689 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
SCHEMBL1279188 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
SCHEMBL1279926 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
SCHEMBL1279877 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
SCHEMBL1279001 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
SCHEMBL1279873 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
Water SCHEMBL1279367 0.99 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
Water SCHEMBL1279369 0.99 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
SCHEMBL1279442 0.90 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3MCHR1HTR2C
SCHEMBL1279438 0.90 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3MCHR1HTR2C

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 SLC6A2 2/4885SLC6A4 1/4885SLC6A3 6/4885
US-20120088799-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 SLC6A2 2/4885SLC6A4 1/4885SLC6A3 6/4885
US-20140243536-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 SLC6A2 2/4885SLC6A4 1/4885SLC6A3 6/4885

“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.

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