SCHEMBL828076

SCHEMBL828076

Cc1ccc(C(N)=O)c(C)c1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
PKMYT1 Q99640 1/20 0.43
PRKDC P78527 1/20 0.41
POLB P06746 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
PARP1 P09874 1/20 0.40
MAPT P10636 2/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HPGD P15428 2/20 0.39
IKBKB O14920 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL22362588 0.88 ALDH1A1 (0.44) ALDH1A1PKMYT1PRKDCPOLBAURKA
SCHEMBL827977 0.82 ALDH1A1 (0.47) ALDH1A1PRKDCPOLBAURKARPS6KB1
SCHEMBL17979907 0.82 ALDH1A1 (0.58) ALDH1A1POLBAURKARPS6KB1PARP1
SCHEMBL18171738 0.82 ACVR1 (0.45) IKBKB
SCHEMBL29188574 0.79 ALDH1A1 (0.40) ALDH1A1RPS6KB1PARP1MAPTKDM4E
SCHEMBL3228970 0.76 MAPT (0.56) ALDH1A1PRKDCPOLBPARP1MAPT
SCHEMBL3230406 0.76 PRKDC (0.58) ALDH1A1PRKDCPOLBPARP1MAPT
SCHEMBL29222063 0.74 ALDH1A1 (0.50) ALDH1A1MAPTGAA
SCHEMBL6073272 0.74 MAPT (0.47) ALDH1A1POLBMAPTNSD2LMNA
SCHEMBL18426844 0.73 NPC1 (0.46) ALDH1A1PARP1MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 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-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 ALDH1A1 2897/4885PKMYT1 1572/4885PRKDC 886/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 ALDH1A1 2897/4885PKMYT1 1572/4885PRKDC 886/4885

“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.