SCHEMBL10090874

SCHEMBL10090874

Cc1nc(Cl)ccc1OC(CC(C)C)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.41
▸ SLC6A4 P31645 5/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ GPR119 Q8TDV5 8/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR3C1 P04150 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
SCHEMBL590425 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3GPR119SSTR4
SCHEMBL586400 0.89 SSTR4 (0.40) GPR119SSTR4ALDH1A1MEN1LMNA
SCHEMBL590981 0.88 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3GPR119ALDH1A1
SCHEMBL2676756 0.87 SSTR4 (0.39) GPR119SSTR4ALDH1A1MEN1LMNA
SCHEMBL592676 0.87 GPR119 (0.41) SLC6A2SLC6A4SLC6A3GPR119ALDH1A1
SCHEMBL586621 0.87 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3GPR119NPSR1
SCHEMBL10090887 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3GPR119SSTR4
SCHEMBL2675436 0.84 GPR119 (0.45) GPR119
SCHEMBL2675147 0.83 SSTR4 (0.41) GPR119SSTR4ALDH1A1TP53NPC1
SCHEMBL10090873 0.82 GPR119 (0.41) GPR119ALDH1A1MEN1LMNAGAA

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
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

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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