SCHEMBL2731963

SCHEMBL2731963

CCCCCNc1cccc(C(N)=O)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
CNR1 P21554 1/20 0.52
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLK1 P53350 2/20 0.42
NAAA Q02083 1/20 0.41

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
SCHEMBL2731960 0.92 PLK1 (0.48) CNR2CNR1MEN1NR1I2LMNA
SCHEMBL648231 0.86 CNR2 (0.55) CNR2CNR1MEN1NR1I2LMNA
SCHEMBL1825731 0.85 CNR2 (0.49) CNR2CNR1MEN1NR1I2LMNA
SCHEMBL7590166 0.85 CNR2 (0.56) CNR2CNR1MEN1NR1I2LMNA
SCHEMBL14577687 0.81 TSHR (0.53) CNR2CNR1MEN1NR1I2LMNA
SCHEMBL2382976 0.81 CNR2 (0.50) CNR2CNR1HPGDALDH1A1HSD17B10
SCHEMBL2382707 0.78 KDM4E (0.52) CNR2CNR1LMNACYP3A4MAPT
SCHEMBL2732932 0.77 NAAA (0.51) CNR2CNR1MEN1NR1I2LMNA
SCHEMBL4785899 0.77 TSHR (0.47) CNR2CNR1MEN1NR1I2LMNA
SCHEMBL28161940 0.77 CNR2 (0.49) CNR2CNR1HPGDALDH1A1HSD17B10

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-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059442-A3 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-09-27 WO disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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 (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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 CNR2 344/4885CNR1 233/4885MEN1 3294/4885

“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.