SCHEMBL4112501

SCHEMBL4112501

CCSc1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1

nearest known ligand 0.92

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.92
SLC6A4 P31645 20/20 0.92
SLC6A3 Q01959 16/20 0.92
CYP2D6 P10635 5/20 0.92
KCNH2 Q12809 5/20 0.92
CHRM4 P08173 1/20 0.59
CYP3A4 P08684 1/20 0.59
CHRM5 P08912 1/20 0.59

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
Hydrochloric Acid SCHEMBL4116011 0.99 SLC6A2 (0.90) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4104763 0.96 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4126915 0.95 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4122169 0.89 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4115959 0.89 SLC6A2 (0.91) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4122243 0.88 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4122320 0.86 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4116962 0.86 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4117213 0.86 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4109312 0.85 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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
US-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
US-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
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.