SCHEMBL5202981

SCHEMBL5202981

CCCCOC(=O)C1(N)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR1 P03372 5/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 2/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ABCB11 O95342 1/20 0.38
CHRM2 P08172 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
SCHEMBL14463170 0.98 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL4719492 0.92 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL17683993 0.91 TSHR (0.39) ALDH1A1TSHRMEN1KMT2AESR1
SCHEMBL24325993 0.89 NAAA (0.47) ALDH1A1TSHRESR1LMNAHCAR2
Formic Acid SCHEMBL28786714 0.88 ALDH1A1 (0.46) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL234860 0.83 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL22954568 0.83 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL1812214 0.82 ALOX15 (0.39) ALDH1A1ATMTSHRMEN1KMT2A
SCHEMBL1837607 0.82 ALOX15 (0.39) ALDH1A1ATMTSHRMEN1KMT2A
SCHEMBL16391280 0.81 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009444-B1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2017-12-20 EP disclosed
US-9636346-B2 Alpha-oxoacyl amino-caprolactam derivative SEIKAGAKU CORPORATION (JP) 2017-05-02 US disclosed
US-9562042-B2 α-oxoacyl amino-caprolactam SEIKAGAKU CORPORATION (JP) 2017-02-07 US disclosed
US-20160375031-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2016-12-29 US disclosed
US-9481707-B2 α-oxoacyl amino-caprolactam derivative SEIKAGAKU CORPORATION (JP) 2016-11-01 US disclosed
US-20160137691-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE SEIKAGAKU CORPORATION (JP) 2016-05-19 US disclosed
US-20160130266-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM BODY SEIKAGAKU CORPORATION (JP) 2016-05-12 US disclosed
EP-3009444-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE Seikagaku Corporation (JP) 2016-04-20 EP disclosed
EP-1758891-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES Pfizer Japan Inc. (JP) 2007-03-07 EP disclosed
WO-2005123718-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES PFIZER JAPAN INC. (JP) 2005-12-29 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 (3 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-20160375031-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE OGFRL1, ARGLU1, COL1A1 ALDH1A1 2538/4885ATM 4505/4885TSHR 2298/4885
US-20160137691-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE COL2A1, ARGLU1, COL1A1 ALDH1A1 2481/4885ATM 4446/4885TSHR 2671/4885
US-20160130266-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM BODY ANPEP, COL2A1, PTMS ALDH1A1 3563/4885ATM 4556/4885TSHR 3420/4885

“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.