SCHEMBL13831727

SCHEMBL13831727

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 3/20 0.56
POLB P06746 2/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 1/20 0.54
USP2 O75604 4/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HCRTR1 O43613 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL13831168 0.92 NPSR1 (0.56) NPSR1TSHRPOLBLMNAHTT
SCHEMBL13832155 0.89 TSHR (0.61) NPSR1TSHRPOLBLMNAHTT
SCHEMBL13831740 0.87 NPSR1 (0.57) NPSR1TSHRPOLBLMNAUSP2
SCHEMBL13831805 0.86 NPSR1 (0.55) NPSR1TSHRPOLBLMNAHTT
SCHEMBL13831653 0.85 NPSR1 (0.56) NPSR1TSHRPOLBLMNAHTT
SCHEMBL13831998 0.84 NPSR1 (0.56) NPSR1TSHRPOLBLMNAHTT
SCHEMBL13831779 0.84 NPSR1 (0.56) NPSR1TSHRPOLBLMNAHTT
SCHEMBL13831137 0.84 NPSR1 (0.56) NPSR1TSHRPOLBLMNAHTT
SCHEMBL13831114 0.84 NPSR1 (0.55) NPSR1TSHRPOLBLMNAHTT
SCHEMBL13832128 0.83 NPSR1 (0.55) NPSR1TSHRPOLBLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 US disclosed
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
US-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 US disclosed
US-10188105-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2019-01-29 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 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 (7 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 41/4885TSHR 2971/4885POLB 4840/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885TSHR 3088/4885POLB 4832/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 NPSR1 44/4885TSHR 2891/4885POLB 4842/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 41/4885TSHR 2971/4885POLB 4840/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885TSHR 2976/4885POLB 4834/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885TSHR 2976/4885POLB 4834/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885TSHR 3088/4885POLB 4832/4885

“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.