SCHEMBL80509

SCHEMBL80509

CCC(CC)CSc1ccccc1N(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
NPY2R P49146 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.34
CDC25B P30305 2/20 0.34
HPGD P15428 1/20 0.34
S100A4 P26447 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KIF11 P52732 1/20 0.33
MAP2K7 O14733 1/20 0.33
CDC25A P30304 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL77955 0.87 MTNR1A (0.39) MTNR1AMTNR1BNPY2RPOLBHPGD
SCHEMBL80086 0.85 MTNR1A (0.42) MTNR1AMTNR1BNPY2RCDC25BHPGD
SCHEMBL11403283 0.78 POLB (0.40) MTNR1AMTNR1BNPY2RPOLBHPGD
SCHEMBL11343622 0.77 KMT2A (0.37) NPY2RPOLBCYP1A2HPGDALDH1A1
SCHEMBL78628 0.77 NPY2R (0.52) NPY2RPOLBHPGDALDH1A1KMT2A
SCHEMBL78291 0.76 RIPK1 (0.36) MTNR1AMTNR1BNPY2RHPGDALDH1A1
SCHEMBL78113 0.75 TSHR (0.48) MTNR1AMTNR1BNPY2RPOLBCYP1A2
SCHEMBL78353 0.75 ALDH1A1 (0.40) MTNR1AMTNR1BPOLBCYP1A2HPGD
SCHEMBL11301510 0.75 PTGS2 (0.51) NPY2RCYP1A2HPGDALDH1A1KMT2A
SCHEMBL80587 0.75 NPY2R (0.36) NPY2RPOLBCYP1A2HPGDALDH1A1

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 7 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 claimed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US claimed
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
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO 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 MTNR1A 1417/4885MTNR1B 1547/4885NPY2R 2156/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT MTNR1A 1417/4885MTNR1B 1547/4885NPY2R 2156/4885

“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.