SCHEMBL4110503

SCHEMBL4110503

O=C(c1ccccc1C1CCC1)N(CC1CCC1)[C@H]1CCNC1

nearest known ligand 0.98

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.98
SLC6A4 P31645 20/20 0.98
SLC6A3 Q01959 16/20 0.98
KCNH2 Q12809 6/20 0.98
CYP2D6 P10635 5/20 0.98
CHRM4 P08173 1/20 0.71
CYP3A4 P08684 1/20 0.71
CHRM5 P08912 1/20 0.71

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
SCHEMBL4122200 0.99 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4117369 0.98 SLC6A2 (0.93) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4112141 0.98 SLC6A2 (0.93) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4112476 0.95 SLC6A2 (0.93) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4112684 0.95 SLC6A2 (0.93) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL4123204 0.94 SLC6A2 (0.91) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4126890 0.84 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4115360 0.83 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5888234 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4634055 0.83 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1828121-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
WO-2006064336-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 WO 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-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors AOC3, AOC2, TPH2 SLC6A2 5/4885SLC6A4 36/4885SLC6A3 46/4885

“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.