SCHEMBL2732932

SCHEMBL2732932

CCCCCNc1c(O)cccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.51
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 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
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PLK1 P53350 1/20 0.43
TSHR P16473 2/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL11667954 0.84 MEN1 (0.43) NAAAMAPTMEN1KMT2ANR1I2
SCHEMBL1825731 0.79 CNR2 (0.49) NAAAMAPTMEN1KMT2ANR1I2
SCHEMBL648231 0.77 CNR2 (0.55) NAAAMAPTMEN1KMT2ANR1I2
SCHEMBL2731963 0.77 CNR2 (0.52) NAAAMAPTMEN1KMT2ANR1I2
SCHEMBL1954771 0.76 NAAA (0.43) NAAAMAPTMEN1KMT2AALDH1A1
Octane SCHEMBL3330989 0.76 MAPT (0.54) NAAAMAPTMEN1KMT2ANR1I2
SCHEMBL4785901 0.76 BCAT2 (0.51) MAPTMEN1KMT2ANR1I2LMNA
Salicylamide SCHEMBL28253035 0.76 ALDH1A1 (0.70) NAAAMAPTMEN1KMT2ANR1I2
SCHEMBL7590166 0.76 CNR2 (0.56) NAAAMAPTMEN1KMT2ANR1I2
SCHEMBL1952689 0.75 NAAA (0.45) NAAAMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2013545737-A 2013-12-26 JP disclosed
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-09-19 US disclosed
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-09-19 US disclosed
EP-2635554-A2 NOVEL NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
EP-2635554-A2 NOVEL NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059443-A3 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-09-07 WO disclosed
WO-2012059443-A2 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed
WO-2012059443-A2 NOVEL 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-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS PRSS12, NLN, MTPN NAAA 51/4885MAPT 1141/4885MEN1 2456/4885

“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.