SCHEMBL3957212

SCHEMBL3957212

CC(C)(C)OC(=O)NC(=O)C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
KMT2A Q03164 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
DRD4 P21917 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL7699065 1.00 ACE (0.48) ACEKMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3957208 0.84 SCN9A (0.58) ACEKMT2AMEN1SIGMAR1CTSS
SCHEMBL915402 0.80 KMT2A (0.65) KMT2AMEN1DRD4L3MBTL1SIGMAR1
SCHEMBL3635817 0.79 KMT2A (0.56) KMT2AMEN1DRD4L3MBTL1SIGMAR1
SCHEMBL3960093 0.78 SIGMAR1 (0.56) KMT2ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2311994 0.77 MEN1 (0.52) KMT2ACYP2D6CYP2C9CYP2C19MEN1
SCHEMBL15809950 0.77 KMT2A (0.62) ACEKMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL7549641 0.77 KCNA3 (0.59) KMT2AMEN1DRD4L3MBTL1SIGMAR1
SCHEMBL1361202 0.77 KMT2A (0.62) ACEKMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3593211 0.76 KDM4E (0.58) KMT2AMEN1DRD4L3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ACE 1146/4885KMT2A 2685/4885CYP3A4 1258/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ACE 1035/4885KMT2A 2655/4885CYP3A4 759/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS ACE 924/4885KMT2A 2610/4885CYP3A4 564/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ACE 1035/4885KMT2A 2655/4885CYP3A4 759/4885

“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.