SCHEMBL10090886

SCHEMBL10090886

C=C(C)OC(=O)N1CCC(C(CC(C)C)Oc2cccnc2C)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 16/20 0.44
▸ SSTR4 P31391 1/20 0.37
▸ CHRM4 P08173 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 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
SCHEMBL10090890 0.88 RBP4 (0.37) GPR119SSTR4
SCHEMBL2675436 0.86 GPR119 (0.45) GPR119
SCHEMBL10090887 0.84 SLC6A2 (0.40) GPR119SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL2675452 0.75 GPR119 (0.41) GPR119
SCHEMBL10090902 0.73 SSTR4 (0.37) GPR119SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL586621 0.71 SLC6A2 (0.45) GPR119SLC6A2SLC6A4SLC6A3
SCHEMBL10090874 0.70 SLC6A2 (0.41) GPR119SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL590425 0.70 SLC6A2 (0.41) GPR119SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL590981 0.70 SLC6A2 (0.55) GPR119SLC6A2SLC6A4SLC6A3
SCHEMBL14668821 0.70 GPR119 (0.56) GPR119

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 2 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-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 708/4885SSTR4 339/4885CHRM4 676/4885

“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.

Send feedback