SCHEMBL15876288

SCHEMBL15876288

CN1CCN(CC(N)C(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
PAOX Q6QHF9 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
PIK3CD O00329 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLK1 P53350 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL17131458 0.84 GAA (0.43) GAAPAOXPOLBTSHRALDH1A1
SCHEMBL12128836 0.84 GAA (0.43) GAAPAOXPOLBTSHRALDH1A1
SCHEMBL2181054 0.79 PAOX (0.47) GAAPAOXTSHRKDM4EMEN1
SCHEMBL4637391 0.79 ANPEP (0.52) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL7288389 0.78 ANPEP (0.56) GAATSHRALDH1A1KDM4EGLA
SCHEMBL10098488 0.74 KMT2A (0.41) GAAPAOXPOLBTSHRALDH1A1
SCHEMBL16103625 0.74 KMT2A (0.41) GAAPAOXPOLBTSHRALDH1A1
SCHEMBL5668078 0.73 GAA (0.42) GAAPAOXPOLBTSHRALDH1A1
SCHEMBL14385187 0.73 SIGMAR1 (0.38) GAAPAOXPOLBTSHRALDH1A1
SCHEMBL27903589 0.72 TP53 (0.35) GAAPOLBTSHRKDM4EGLA

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-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2015-08-13 US disclosed
US-8835491-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-09-16 US disclosed
EP-2086329-B1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2014-07-23 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-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 GAA 3940/4885PAOX 907/4885POLB 4599/4885

“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.