SCHEMBL4844498

SCHEMBL4844498

CCOC(=O)CCCC1CN(C(=O)O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 4/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
KAT7 O95251 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4844477 0.93 ALDH1A1 (0.39) PARP1RAB9AL3MBTL1ALDH1A1HSD17B10
SCHEMBL4843493 0.87 PARP1 (0.37) PARP1HSD17B10NR1H2NR1H3
SCHEMBL6730882 0.86 ALDH1A1 (0.40) PARP1ALDH1A1HSD17B10KDM4EGLA
SCHEMBL4836555 0.82 NR1H2 (0.38) PARP1HSD17B10NR1H2NR1H3
SCHEMBL4846092 0.81 PARP1 (0.38) PARP1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4843481 0.81 PARP1 (0.39) PARP1ALDH1A1HSD17B10HPGDMEN1
SCHEMBL4840180 0.80 NR1H2 (0.40) PARP1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28490941 0.80 PARP1 (0.48) PARP1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4837008 0.80 PARP1 (0.36) PARP1HSD17B10KDM4ENR1H2NR1H3
SCHEMBL29550642 0.80 ATM (0.44) L3MBTL1ALDH1A1HSD17B10KDM4EGLA

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-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 PARP1 2330/4885RAB9A 2493/4885L3MBTL1 4655/4885

“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.