SCHEMBL4747865

SCHEMBL4747865

CN1C[C@@H]2CCCC[C@@]2(N)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.47
SLC6A2 P23975 18/20 0.47
SLC6A3 Q01959 18/20 0.47
CYP2D6 P10635 6/20 0.42
KCNH2 Q12809 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4747827 1.00 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL23517845 0.94 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4747800 0.94 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL23938115 0.94 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4747798 0.94 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL18968813 0.85
SCHEMBL90594 0.85
SCHEMBL14139659 0.85
SCHEMBL10306161 0.85
SCHEMBL3028181 0.78 APP (0.34) SLC6A4SLC6A2SLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
EP-2540715-A1 Fused substituted aminopyrrolidine derivative Daiichi Sankyo Company, Limited (JP) 2013-01-02 EP disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US disclosed
WO-2008082009-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-07-10 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 SLC6A4 2930/4885SLC6A2 3313/4885SLC6A3 2917/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 SLC6A4 2930/4885SLC6A2 3313/4885SLC6A3 2917/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 SLC6A4 2930/4885SLC6A2 3313/4885SLC6A3 2917/4885

“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.