SCHEMBL509583

SCHEMBL509583

CCCO[C@H]1CN(C(=O)OCC)CC[C@H]1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
CHRM1 P11229 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL3399949 1.00 GAA (0.48) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL9721727 0.90 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL405104 0.90 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL403641 0.90 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL2848301 0.85 TAAR1 (0.35) GAANOS3NOS2ALDH1A1KDM4E
SCHEMBL2848304 0.85 TAAR1 (0.35) GAANOS3NOS2ALDH1A1KDM4E
SCHEMBL2821605 0.85 HPGD (0.41) ALDH1A1SMN1; SMN2MAPTDPP4
SCHEMBL2844639 0.85 HPGD (0.41) ALDH1A1SMN1; SMN2MAPTDPP4
SCHEMBL2844635 0.85 HPGD (0.41) ALDH1A1SMN1; SMN2MAPTDPP4
SCHEMBL401141 0.84 GAA (0.47) GAANOS3NOS2CHRM1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
EP-2376488-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-19 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR GAA 352/4885NOS3 1876/4885NOS2 698/4885

“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.