SCHEMBL13733872

SCHEMBL13733872

CC1CN(C2CCC(COS(C)(=O)=O)CC2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25338167 0.81 KDM4E (0.40) KDM4EALDH1A1ALOX15PSEN1PSEN2
SCHEMBL25338170 0.81 KDM4E (0.40) KDM4EALDH1A1ALOX15PSEN1PSEN2
SCHEMBL15512262 0.80 KDM4E (0.41) KDM4EALDH1A1ALOX15POLBTP53
SCHEMBL13735368 0.80 KDM4E (0.41) KDM4EALDH1A1ALOX15POLBTP53
SCHEMBL3301225 0.77 TSHR (0.33)
SCHEMBL13735774 0.75 GPR119 (0.32)
SCHEMBL27768247 0.75 GAA (0.43) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL15511444 0.75 SLC6A9 (0.51)
SCHEMBL27544634 0.73 TSHR (0.44) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL371909 0.72 MEN1 (0.36) KDM4EALDH1A1

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-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
WO-2012145361-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-26 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-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, SLC5A2 KDM4E 2379/4885ALDH1A1 1526/4885ALOX15 4281/4885

“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.