SCHEMBL2675452

SCHEMBL2675452

CC(C)CC(Oc1cccnc1C(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.41
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37

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
SCHEMBL2675436 0.88 GPR119 (0.45) GPR119
SCHEMBL10090890 0.88 RBP4 (0.37) GPR119RBP4
SCHEMBL2675233 0.84 GPR119 (0.42) GPR119USP30POLB
SCHEMBL30785512 0.83 HDAC4 (0.41) GPR119USP30RBP4POLB
SCHEMBL27158244 0.83 HDAC4 (0.41) GPR119USP30RBP4POLB
SCHEMBL586621 0.77 SLC6A2 (0.45) GPR119
SCHEMBL29912864 0.77 GPR119 (0.47) GPR119ALOX5APFEN1USP30RBP4
SCHEMBL27158392 0.77 GPR119 (0.47) GPR119ALOX5APFEN1USP30RBP4
SCHEMBL590425 0.76 SLC6A2 (0.41) GPR119POLB
SCHEMBL10090874 0.76 SLC6A2 (0.41) GPR119POLB

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-8173821-B2 Serotonin and norepinephrine reuptake inhibitor ELI LILLY AND COMPANY (US) 2012-05-08 — — US disclosed
US-8173821-B2 Serotonin and norepinephrine reuptake inhibitor ELI LILLY AND COMPANY (US) 2012-05-08 — — US disclosed
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 — — WO disclosed
US-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 — — US disclosed
US-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 — — 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 (1 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-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR SLC6A2, SLC6A4, TPH1 GPR119 708/4885ALOX5AP 927/4885FEN1 2471/4885

“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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