SCHEMBL6286261

SCHEMBL6286261

O=C(CN1C(=O)CN(Cc2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.54
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 2/20 0.44
FKBP1A P62942 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ENPP2 Q13822 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6280723 0.83 HDAC6 (0.61) HDAC6CYP2C9CYP2C19KMT2APOLB
SCHEMBL25426510 0.82 ALDH1A1 (0.54) CYP2C9CYP2C19KMT2AALDH1A1MAPK1
SCHEMBL21760453 0.79 ALDH1A1 (0.54) CYP2C9CYP2C19KMT2AALDH1A1MAPK1
SCHEMBL7367041 0.79 POLB (0.44) CYP2C9CYP2C19KMT2APOLBCYP2D6
SCHEMBL4955033 0.78 HDAC6 (0.69) HDAC6CYP2C9CYP2C19KMT2APOLB
SCHEMBL7461145 0.78 HDAC6 (0.53) HDAC6KMT2AALDH1A1PTPN1MEN1
SCHEMBL23291465 0.78 POLB (0.48) CYP2C9CYP2C19KMT2APOLBCYP2D6
SCHEMBL23291427 0.75 PRMT5 (0.48) CYP2C9CYP2C19KMT2APOLBCYP2D6
SCHEMBL7453553 0.75 HDAC6 (0.61) HDAC6CYP2C9CYP2C19KMT2APOLB
SCHEMBL23298275 0.74 GSK3A (0.57) CYP2C9CYP2C19KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852744-B2 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-05-27 US disclosed
EP-1313730-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR Dainippon Pharmaceutical Co., Ltd. (JP) 2003-05-28 EP disclosed
WO-2002018378-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 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-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor CMA1, CTRL, TPSD1 HDAC6 628/4885CYP2C9 2147/4885CYP2C19 2105/4885

“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.