SCHEMBL12759018

SCHEMBL12759018

[C-]#[N+]C1C2CC3CC1CC(CNC(=O)OC(C)(C)C)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD11B1 P28845 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CACNA1H O95180 1/20 0.38
DGAT1 O75907 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 1/20 0.36
HCRTR2 O43614 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1497403 0.84 MAPT (0.46) MAPTHSD17B10ALDH1A1HSD11B1TSHR
SCHEMBL1497400 0.83 MAPT (0.45) MAPTHSD17B10ALDH1A1HSD11B1TSHR
SCHEMBL1497409 0.82 HSD11B1 (0.46) MAPTHSD17B10ALDH1A1HSD11B1TSHR
SCHEMBL1497438 0.80 MAPT (0.42) MAPTHSD17B10ALDH1A1HSD11B1TSHR
SCHEMBL1497402 0.75 MAPT (0.48) MAPTHSD17B10ALDH1A1TSHRMEN1
SCHEMBL1497427 0.75 HSD17B10 (0.47) MAPTHSD17B10ALDH1A1TSHRMEN1
SCHEMBL1497425 0.75 HSD17B10 (0.47) MAPTHSD17B10ALDH1A1TSHRMEN1
SCHEMBL1847714 0.72 HSD11B1 (0.42) MAPTHSD17B10ALDH1A1HSD11B1TSHR
SCHEMBL1847712 0.72 HSD11B1 (0.42) MAPTHSD17B10ALDH1A1HSD11B1TSHR
SCHEMBL1847717 0.72 HSD11B1 (0.42) MAPTHSD17B10ALDH1A1HSD11B1TSHR

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-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 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-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS MAVS, SLC30A5, HAVCR2 MAPT 3781/4885HSD17B10 3104/4885ALDH1A1 3877/4885

“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.