SCHEMBL78291

SCHEMBL78291

CN(C(=O)O)c1ccccc1SCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
NPY2R P49146 4/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLQ O75417 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
TSPO P30536 1/20 0.33
HPGD P15428 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
SCHEMBL11301510 0.80 PTGS2 (0.51) NPY2RKMT2ARAB9ANPC1ALDH1A1
SCHEMBL11343622 0.79 KMT2A (0.37) NPY2RKMT2ARAB9ANPC1MEN1
SCHEMBL78628 0.79 NPY2R (0.52) NPY2RKMT2ARAB9ANPC1MEN1
SCHEMBL80086 0.78 MTNR1A (0.42) NPY2RKMT2ARAB9ANPC1MEN1
SCHEMBL78353 0.77 ALDH1A1 (0.40) KMT2ARAB9ANPC1ALDH1A1MTNR1A
SCHEMBL80587 0.77 NPY2R (0.36) NPY2RKMT2ARAB9ANPC1MEN1
SCHEMBL78113 0.77 TSHR (0.48) NPY2RKMT2AMEN1ALDH1A1MTNR1A
SCHEMBL79839 0.76 KMT2A (0.38) NPY2RKMT2ARAB9ANPC1MEN1
SCHEMBL79386 0.76 CYP1A2 (0.37) NPY2RKMT2ARAB9ANPC1ALDH1A1
SCHEMBL79837 0.76 KMT2A (0.38) NPY2RKMT2ARAB9ANPC1MEN1

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-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 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-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT RIPK1 3653/4885NPY2R 2156/4885KMT2A 309/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT RIPK1 3653/4885NPY2R 2156/4885KMT2A 309/4885

“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.