SCHEMBL2675871

SCHEMBL2675871

COc1ccc(OC2(C(C)[C@@H]3CCNC3)CC2)c(C)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 15/20 0.61
▸ SLC6A4 P31645 15/20 0.61
▸ SLC6A3 Q01959 11/20 0.55
▸ GPR119 Q8TDV5 1/20 0.37
▸ CYP2D6 P10635 2/20 0.34
▸ NNMT P40261 1/20 0.32

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
SCHEMBL2676099 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL586043 0.76 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3GPR119CYP2D6
SCHEMBL585821 0.76 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3GPR119CYP2D6
SCHEMBL586415 0.76 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3GPR119CYP2D6
SCHEMBL586162 0.75 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3GPR119CYP2D6
SCHEMBL585198 0.74 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3GPR119CYP2D6
SCHEMBL585767 0.74 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2675874 0.73 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL585197 0.67 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3GPR119NNMT
SCHEMBL585768 0.67 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417124-B1 Serotonin and norepinephrine reuptake inhibitor LILLY CO ELI (US) 2013-12-18 — — EP disclosed
US-8173821-B2 Serotonin and norepinephrine reuptake inhibitor ELI LILLY AND COMPANY (US) 2012-05-08 — — 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 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 4/4885

“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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