SCHEMBL4485877

SCHEMBL4485877

FC(F)(F)c1cccc(CN(C2CCCC2)[C@H]2CCNC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.56
SLC6A2 P23975 10/20 0.56
SLC6A3 Q01959 3/20 0.51
CYP2D6 P10635 4/20 0.47
KCNH2 Q12809 3/20 0.47
TACR1 P25103 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2C P28335 2/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL5821154 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Acetic Acid SCHEMBL4480219 0.92 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4486802 0.84 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4488524 0.82 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4493066 0.82 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4498905 0.82 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4483943 0.82 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4475798 0.81 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4495211 0.80 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3TACR1DCUN1D1
SCHEMBL2310975 0.79 DCUN1D1 (0.63) SLC6A4SLC6A2SLC6A3KCNH2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP claimed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO claimed
US-7619096-B2 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP disclosed
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 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-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A2 SLC6A4 5/4885SLC6A2 1/4885SLC6A3 2/4885

“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.