SCHEMBL586194

SCHEMBL586194

COc1ccc(ON2CCCC2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ PDE10A Q9Y233 7/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE2A O00408 1/20 0.33

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
SCHEMBL4977234 0.76 KDM4E (0.52) NNMTALDH1A1SLC6A2SLC6A4PDE10A
SCHEMBL13518972 0.69 NNMT (0.44) NNMTSLC6A2SLC6A4PDE10AKDM4E
SCHEMBL29995392 0.68 ACHE (0.57) ALDH1A1TSHRHPGDSMN1; SMN2KDM4E
SCHEMBL31189712 0.67 NNMT (0.46) NNMTSLC6A2SLC6A4PDE10AGPR119
SCHEMBL12036800 0.67 NNMT (0.42) NNMTSLC6A2SLC6A4PDE10AKDM4E
SCHEMBL11548078 0.66 CA12 (0.52) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL29995599 0.66 CA12 (0.52) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL172558 0.65 NNMT (0.52) NNMTALDH1A1PDE10AKMT2APDE2A
SCHEMBL248283 0.63 NNMT (0.50) NNMTALDH1A1PDE10AKMT2APDE2A
SCHEMBL3158948 0.63 TDP1 (0.51) ALDH1A1TSHRSMN1; SMN2KDM4EL3MBTL1

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
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
EP-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 — — EP 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

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 NNMT 132/4885ALDH1A1 467/4885SLC6A2 1/4885

“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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