SCHEMBL3132363

SCHEMBL3132363

NCCCC[C@@H](CO)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
PRKACA P17612 1/20 0.45
MAPK1 P28482 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
PRKX P51817 1/20 0.45
ROCK1 Q13464 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN2 Q16513 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SGK2 Q9HBY8 1/20 0.45
CTSG P08311 4/20 0.45
CTSB P07858 1/20 0.45
HPGDS O60760 1/20 0.44

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
SCHEMBL6355600 0.86 CTRB1 (0.50) CTRB1ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL29167801 0.82 CTRB1 (0.53) CTRB1ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL3940642 0.82 CTRB1 (0.53) CTRB1ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL3941746 0.82 CTRB1 (0.53) CTRB1ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL6342085 0.82 CTRB1 (0.59) CTRB1ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL607885 0.80 ITGB3 (0.60) ITGB3ITGA2BCTSBHPGDSGRIN1
SCHEMBL607886 0.80 ITGB3 (0.60) ITGB3ITGA2BCTSBHPGDSGRIN1
SCHEMBL21362720 0.80 CTRB1 (0.50) CTRB1ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL2569798 0.79 HPGDS (0.67) ITGB3ITGA2BROCK2CTSBHPGDS
SCHEMBL9403960 0.79 UTS2R (0.55) ITGB3ITGA2BROCK2RPS6KA5PRKACA

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
EP-1491537-B1 HYDROXYMORPHOLINONE DERIVATIVE AND MEDICINAL USE THEREOF SENJU PHARMA CO (JP) 2010-07-07 EP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 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 (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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 CTRB1 2167/4885ITGB3 3487/4885ITGA2B 3588/4885

“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.