SCHEMBL2811773

SCHEMBL2811773

N#CC(=NO)C(=O)N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MYC P01106 1/20 0.31
MAX P61244 1/20 0.31
AURKA O14965 1/20 0.31
RAPGEF3 O95398 1/20 0.31
NAMPT P43490 1/20 0.31
POLB P06746 1/20 0.31
P2RX7 Q99572 1/20 0.30
KDM4E B2RXH2 3/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL2811770 1.00 CTDSP1 (0.35) CTDSP1TAS2R14ALDH1A1MAPTHTT
SCHEMBL13160157 0.88 CTDSP1 (0.36) CTDSP1TAS2R14ALDH1A1MAPTHTT
SCHEMBL205144 0.86 CTDSP1 (0.32) CTDSP1ALDH1A1MAPTHTTGAA
SCHEMBL13128501 0.80 SMN1; SMN2 (0.41) CTDSP1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL13128497 0.80 CTDSP1 (0.36) CTDSP1ALDH1A1MAPTHTTHPGD
SCHEMBL13128471 0.80 CTDSP1 (0.39) CTDSP1MAPTMYCMAXNAMPT
SCHEMBL2812345 0.80 POLB (0.43) CTDSP1ALDH1A1MAPTHTTGAA
SCHEMBL2811321 0.80 CTDSP1 (0.39) CTDSP1ALDH1A1MAPTHTTHPGD
SCHEMBL2811096 0.79 NAMPT (0.41) MYCMAXAURKANAMPTMEN1
SCHEMBL2810328 0.79 BDKRB1 (0.37) CTDSP1ALDH1A1MAPTHTTSMN1; SMN2

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CTDSP1 4271/4885TAS2R14 477/4885ALDH1A1 1000/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CTDSP1 4271/4885TAS2R14 477/4885ALDH1A1 1000/4885

“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.