SCHEMBL4477584

SCHEMBL4477584

O=C(O)N1CC[C@H](NCc2ccc(Cl)cc2Cl)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
BACE1 P56817 1/20 0.58
EPHX2 P34913 13/20 0.57
GRM2 Q14416 2/20 0.55
GRM3 Q14832 2/20 0.55
CYP2C9 P11712 4/20 0.51
CYP2J2 P51589 4/20 0.51
SIGMAR1 Q99720 1/20 0.51
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4482088 0.88 OPRL1 (0.53) BCHEACHEBACE1EPHX2CYP2C9
SCHEMBL951933 0.83 ALDH1A1 (0.57) BCHEACHEBACE1EPHX2GRM2
SCHEMBL951932 0.83 ALDH1A1 (0.57) BCHEACHEBACE1EPHX2GRM2
SCHEMBL4485008 0.80 P2RX7 (0.45) BCHEACHEBACE1SIGMAR1
SCHEMBL4492750 0.79 ENPP2 (0.45) BCHEACHEBACE1EPHX2SIGMAR1
SCHEMBL15054550 0.79 EPHX2 (0.49) BCHEACHEBACE1EPHX2SIGMAR1
SCHEMBL4205757 0.78 ALDH1A1 (0.59) BCHEACHEBACE1EPHX2CYP2C9
SCHEMBL27701486 0.78 KDM1A (0.50) BCHEACHEBACE1EPHX2CYP2C9
SCHEMBL27722373 0.78 KDM1A (0.50) BCHEACHEBACE1EPHX2CYP2C9
SCHEMBL27722371 0.77 KDM1A (0.49) BCHEACHEBACE1EPHX2CYP2C9

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
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
EP-1828122-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY 2006-11-30 US disclosed
WO-2006064351-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 WO 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 BCHE 1294/4885ACHE 393/4885BACE1 2336/4885

“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.