SCHEMBL78861

SCHEMBL78861

CNC(=O)Oc1ccccc1OCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
ALDH1A1 P00352 3/20 0.49
ACHE P22303 2/20 0.49
HPGD P15428 2/20 0.48
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
PGR P06401 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX1 P07099 1/20 0.45
SCN9A Q15858 1/20 0.44
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
KMT2A Q03164 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL79892 0.99 ALDH1A1 (0.50) FAAHCNR1CNR2ALDH1A1ACHE
SCHEMBL77960 0.77 ACHE (0.44) ALDH1A1ACHEHPGDCHRM2CHRM1
SCHEMBL6769322 0.76 ALDH1A1 (0.64) FAAHCNR1CNR2ALDH1A1HPGD
SCHEMBL77837 0.76 ALDH1A1 (0.43) ALDH1A1ACHEHPGDCHRM2CHRM1
SCHEMBL9325544 0.76 ALDH1A1 (0.60) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL11804134 0.75 PTGDR2 (0.55) ALDH1A1ACHECHRM2CHRM1CHRM3
SCHEMBL28333102 0.75 FAAH (0.48) FAAHCNR1CNR2ALDH1A1HPGD
SCHEMBL28749415 0.74 RIPK1 (0.49) FAAHCNR1CNR2ALDH1A1HPGD
SCHEMBL11510752 0.74 PTGDR2 (0.52) ALDH1A1ACHECHRM2CHRM1CHRM3
SCHEMBL1388095 0.74 FAAH (0.60) FAAHCNR1CNR2ALDH1A1PARP15

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 FAAH 262/4885CNR1 714/4885CNR2 904/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT FAAH 262/4885CNR1 714/4885CNR2 904/4885

“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.