SCHEMBL586350

SCHEMBL586350

c1cncc(OCC2CCCNC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.60
CHRNA4 P43681 7/20 0.60
CHRNA3 P32297 4/20 0.59
CHRNA7 P36544 3/20 0.59
CHRNB4 P30926 3/20 0.59
CHRNA1 P02708 2/20 0.59
CHRNB1 P11230 2/20 0.59
CHRNG P07510 1/20 0.59
CHRND Q07001 1/20 0.59
IKBKB O14920 2/20 0.56
CHUK O15111 2/20 0.56
CHRM2 P08172 2/20 0.53
CHRM1 P11229 2/20 0.53
CHRM3 P20309 2/20 0.53
CHRNB3 Q05901 1/20 0.51
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
CDC42BPB Q9Y5S2 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49

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
SCHEMBL20038029 0.85 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL2240323 0.82 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL2267290 0.82 SLC6A2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4IKBKB
SCHEMBL3444195 0.82 SLC6A2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4IKBKB
SCHEMBL28049595 0.82 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL9555741 0.81 SLC6A2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4IKBKB
SCHEMBL10280025 0.80 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL31680951 0.80 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL12192922 0.79 ROCK1 (0.64) IKBKBCHUKROCK2ROCK1CDC42BPB
SCHEMBL14346749 0.79 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4

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 CHRNB2 73/4885CHRNA4 81/4885CHRNA3 89/4885

“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.