SCHEMBL4836552

SCHEMBL4836552

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCCCO)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 3/20 0.36
HPGD P15428 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
KAT7 O95251 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL4836555 0.92 NR1H2 (0.38) NR1H2PARP1USP2SMN1; SMN2CYP4F2
SCHEMBL5790219 0.90 NR1H2 (0.46) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL4840168 0.90 NR1H2 (0.46) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL4836992 0.87 GPR119 (0.39) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL4843481 0.85 PARP1 (0.39) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL18850 0.84 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1184434 0.84 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL780271 0.84 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL16846170 0.84 PARP1 (0.38) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL4854281 0.84 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A

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 6 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
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
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
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 NR1H2 498/4885MEN1 4511/4885ALDH1A1 215/4885

“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.