SCHEMBL4077656

SCHEMBL4077656

CC(C)(C)OC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
GPR119 Q8TDV5 1/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TP53 P04637 3/20 0.48
USP30 Q70CQ3 4/20 0.48
PIK3CD O00329 1/20 0.48
GRIN2B Q13224 1/20 0.48
LMNA P02545 1/20 0.48
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
HPGDS O60760 1/20 0.48
TACR1 P25103 1/20 0.47
PDE4B Q07343 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL31222940 0.88 FPR2 (0.49) NAMPTGPR119USP30PDE4BKDM4E
SCHEMBL3126667 0.88 GPR119 (0.54) NAMPTGPR119JAK2JAK1TP53
SCHEMBL23951735 0.87 TP53 (0.59) NAMPTGPR119JAK2JAK1TP53
SCHEMBL697513 0.87 TP53 (0.59) NAMPTGPR119JAK2JAK1TP53
SCHEMBL1751432 0.87 TP53 (0.59) NAMPTGPR119JAK2JAK1TP53
SCHEMBL3843148 0.87 NAMPT (0.66) NAMPTGPR119TP53LMNAHPGDS
SCHEMBL7817698 0.85 TACR1 (0.52) NAMPTGPR119TP53USP30PIK3CD
Acetic Acid SCHEMBL29880486 0.84 NAMPT (0.63) NAMPTGPR119TP53LMNAHPGDS
Dimethylamine SCHEMBL6608623 0.83 NAMPT (0.65) NAMPTGPR119TP53LMNAHPGDS
SCHEMBL4071830 0.82 SIGMAR1 (0.49) NAMPTTP53GRIN2BLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 NAMPT 2093/4885GPR119 335/4885JAK2 714/4885

“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.