SCHEMBL6283002

SCHEMBL6283002

CC(C)(C)OC(=O)CN1CCN(Cc2ccccc2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.65
CYP2C19 P33261 2/20 0.65
POLB P06746 1/20 0.65
CYP2C9 P11712 1/20 0.65
KMT2A Q03164 1/20 0.65
LMNA P02545 1/20 0.53
PLA2G10 O15496 1/20 0.53
PLA2G5 P39877 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 2/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 1/20 0.51
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
SCN9A Q15858 1/20 0.46

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
SCHEMBL6282329 0.84 PLA2G10 (0.47) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL7737652 0.84 PLA2G10 (0.50) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL3588482 0.81 SCN9A (0.53) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL6283587 0.81 LMNA (0.48) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL6283961 0.79 CYP2D6 (1.00) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL10063608 0.79 ALDH1A1 (0.57) CYP2D6CYP2C19KMT2ALMNAALDH1A1
SCHEMBL28546761 0.78 PLA2G10 (0.45) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL29450073 0.77 KMT2A (0.76) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL16416392 0.77 KMT2A (0.76) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL2433122 0.76 POLB (0.48) CYP2D6CYP2C19POLBCYP2C9KMT2A

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 CYP2D6 3378/4885CYP2C19 2105/4885POLB 1006/4885

“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.