SCHEMBL2532832

SCHEMBL2532832

CC(C)(C)OC(=O)N1CCN(c2nc(NC3CCN(C(=O)Cc4ccc(Cl)cc4)C3)nc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.48
GBA1 P04062 2/20 0.47
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
CNR1 P21554 3/20 0.41
GFER P55789 1/20 0.41
ATM Q13315 1/20 0.41
ACHE P22303 2/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
BRD4 O60885 1/20 0.41
IDH1 O75874 1/20 0.41
CNR2 P34972 1/20 0.41
JAK1 P23458 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL2532827 1.00 TLR9 (0.48) TLR9GBA1HTTSMN1; SMN2NPSR1
SCHEMBL2537849 0.94 GBA1 (0.51) TLR9GBA1ACHEDNMT3ABRD4
SCHEMBL2537854 0.94 GBA1 (0.51) TLR9GBA1ACHEDNMT3ABRD4
SCHEMBL12225465 0.86 MRGPRX1 (0.46) GBA1MEN1KMT2AMRGPRX1GFER
Hydrochloric Acid SCHEMBL2534162 0.86 MRGPRX1 (0.46) MEN1KMT2AMRGPRX1GFERATM
Hydrochloric Acid SCHEMBL2534159 0.86 MRGPRX1 (0.46) MEN1KMT2AMRGPRX1GFERATM
SCHEMBL2538816 0.84 GBA1 (0.51) TLR9GBA1ACHEBRD4TLR7
SCHEMBL2538813 0.84 GBA1 (0.51) TLR9GBA1ACHEBRD4TLR7
SCHEMBL2535150 0.83 GBA1 (0.48) TLR9GBA1ACHEIDH1JAK1
SCHEMBL2535146 0.83 GBA1 (0.48) TLR9GBA1ACHEIDH1JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R TLR9 528/4885GBA1 4702/4885HTT 1631/4885

“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.