SCHEMBL15724801

SCHEMBL15724801

CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CC[C@H](OCC(=O)N2CCN(c3ccc4cc(F)ccc4n3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MAPT P10636 1/20 0.36
AR P10275 1/20 0.35
PDE10A Q9Y233 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
CETP P11597 1/20 0.34
MAP4K4 O95819 1/20 0.34
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SERPINE1 P05121 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL15707926 1.00 ENPP2 (0.38) ENPP2HRH3MAPTARPDE10A
SCHEMBL15724814 0.93 ENPP2 (0.37) ENPP2HRH3MAPTARPDE10A
SCHEMBL15707960 0.93 HRH3 (0.43) ENPP2HRH3ARSERPINE1SCN7A
SCHEMBL15707961 0.93 HRH3 (0.43) ENPP2HRH3ARSERPINE1SCN7A
SCHEMBL15724813 0.92 ENPP2 (0.36) ENPP2HRH3MAPTARSIRT6
SCHEMBL15724817 0.92 HRH3 (0.39) ENPP2HRH3MAPTARPDE10A
SCHEMBL15708154 0.92 HRH3 (0.39) ENPP2HRH3MAPTARPDE10A
SCHEMBL15708282 0.92 ENPP2 (0.36) ENPP2HRH3MAPTARSIRT6
SCHEMBL15724802 0.89 SIRT6 (0.42) ENPP2MAPTSIRT6
SCHEMBL15708312 0.89 SIRT6 (0.42) ENPP2MAPTSIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US 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-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 ENPP2 44/4885HRH3 141/4885MAPT 4784/4885

“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.