SCHEMBL4071044

SCHEMBL4071044

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
USP30 Q70CQ3 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.41
RORC P51449 1/20 0.41
SCD5 Q86SK9 1/20 0.41
PIK3CD O00329 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CYP11B2 P19099 1/20 0.40
POLB P06746 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
F11 P03951 2/20 0.39
RET P07949 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.39

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
SCHEMBL4071190 0.83 NAMPT (0.48) NAMPTUSP30GPR119TP53LMNA
SCHEMBL650593 0.82 MEN1 (0.39) USP30GPR119CYP11B2DDB1CRBN
SCHEMBL3843148 0.78 NAMPT (0.66) NAMPTGPR119TP53LMNAPOLB
SCHEMBL31566835 0.77 USP30 (0.35) USP30GPR119SCD5JAK2JAK1
Acetic Acid SCHEMBL29880486 0.76 NAMPT (0.63) NAMPTGPR119TP53LMNAPOLB
SCHEMBL28916598 0.75 SCD5 (0.53) NAMPTUSP30GPR119RORCSCD5
SCHEMBL648469 0.75 HPGD (0.41) GPR119
Dimethylamine SCHEMBL6608623 0.75 NAMPT (0.65) NAMPTGPR119TP53LMNAPOLB
SCHEMBL15194557 0.74 SLC18A3 (0.44) USP30
SCHEMBL14306306 0.74 OPRD1 (0.49) TP53LMNA

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 4 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
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
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 2093/4885USP30 4814/4885GPR119 335/4885

“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.