SCHEMBL15549030

SCHEMBL15549030

CC1CN(C(=O)c2ccccn2)[C@@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
PDE10A Q9Y233 1/20 0.46
RIPK1 Q13546 1/20 0.45
LMNA P02545 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RBP4 P02753 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KMT2A Q03164 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL17962541 1.00 L3MBTL1 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17986802 1.00 L3MBTL1 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15549756 0.85 L3MBTL1 (0.47) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17986804 0.85 L3MBTL1 (0.47) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17986960 0.82 L3MBTL1 (0.47) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3168169 0.77 DGAT1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2SCD5EPHX2
SCHEMBL3168186 0.77 DGAT1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2SCD5EPHX2
SCHEMBL20690378 0.74 L3MBTL1 (0.67) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7479934 0.74 L3MBTL1 (0.57) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12761089 0.74 L3MBTL1 (0.57) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7

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-20150307520-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HUTCHISON MEDIPHARMA LTD (CN) 2015-10-29 US disclosed
US-20150307520-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HUTCHISON MEDIPHARMA LTD (CN) 2015-10-29 US disclosed
US-20150291593-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LTD (CN) 2015-10-15 US disclosed
US-20150291593-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LTD (CN) 2015-10-15 US disclosed
EP-2877472-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITION AND METHODS THEREOF Hutchison Medipharma Limited (CN) 2015-06-03 EP disclosed
WO-2014015830-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITION AND METHODS THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2014-01-30 WO disclosed
WO-2014015675-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-01-30 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 (2 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-20150307520-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS THEREOF PIK3C3, PIK3C2B, PIK3C2A L3MBTL1 4459/4885CHRNB2 4227/4885CHRNB4 4708/4885
US-20150291593-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS PIK3C2B, PIK3C3, PIK3C2A L3MBTL1 4483/4885CHRNB2 4187/4885CHRNB4 4661/4885

“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.