SCHEMBL4532848

SCHEMBL4532848

CCOC(=O)C1CNCCN1[C](C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.38
MAPT P10636 3/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNB1 Q02641 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
SCHEMBL8025147 0.91 FKBP1A (0.38) FKBP1AMAPTPKMALDH1A1LMNA
SCHEMBL7056396 0.81 PARP1 (0.43) FKBP1AALDH1A1TSHRLMNAKMT2A
SCHEMBL7054243 0.81 PARP1 (0.43) FKBP1AALDH1A1TSHRLMNAKMT2A
SCHEMBL6541621 0.81 PARP1 (0.43) FKBP1AALDH1A1TSHRLMNAKMT2A
SCHEMBL3316200 0.81 MAPT (0.39) FKBP1AMAPTPKMALDH1A1TSHR
SCHEMBL7352757 0.80 POLB (0.40) FKBP1AMAPTPKMALDH1A1LMNA
SCHEMBL6729877 0.79 MAPT (0.36) FKBP1AMAPTPKMALDH1A1LMNA
Piperazine SCHEMBL28081240 0.78 MAPT (0.37) FKBP1AMAPTPKMALDH1A1LMNA
SCHEMBL15225779 0.77 POLB (0.47) FKBP1AALDH1A1TSHR
SCHEMBL8718223 0.77 MAPT (0.36) FKBP1AMAPTPKMALDH1A1LMNA

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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US claimed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP claimed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO claimed
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US disclosed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP disclosed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 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 (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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 FKBP1A 1314/4885MAPT 4460/4885PKM 4311/4885

“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.