SCHEMBL4677918

SCHEMBL4677918

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
HRH2 P25021 4/20 0.48
HRH1 P35367 4/20 0.48
CALCRL Q16602 2/20 0.45
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
TSHR P16473 1/20 0.43
CAPN1 P07384 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5142485 0.89 CALCRL (0.46) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL4685418 0.87 KMT2A (0.57) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL5891166 0.87 CTSS (0.46) MAPK1ALDH1A1LMNAKMT2AHRH2
SCHEMBL5891753 0.86 CALCRL (0.48) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL5891355 0.85 ITGB3 (0.47) MAPK1KMT2AHRH2HRH1CALCRL
SCHEMBL13701477 0.85 HRH2 (0.51) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL5141586 0.84 CALCRL (0.49) MAPK1ALDH1A1LMNAKMT2AHRH2
SCHEMBL5142544 0.84 TSHR (0.59) KMT2AMEN1CALCRLCTSSCTSK
SCHEMBL5891240 0.84 CTSS (0.51) KMT2ACALCRLCTSSCTSKTSHR
SCHEMBL5891360 0.84 CALCRL (0.43) MAPK1ALDH1A1LMNAKMT2AHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409479-B1 1-GLYCINYL-4-(1-METHYLPIPERIDIN-4-YL)PIPERAZINES AND -PIPERIDINES AS FACTOR XA ANTAGONISTS LILLY CO ELI (US) 2008-01-23 EP disclosed
US-7265121-B2 Chemical compounds ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20050026928-A1 Chemical compounds ELI LILLY AND COMPANY 2005-02-03 US disclosed
EP-1409479-A2 1-GLYCINYL-4-(1-METHYLPIPERIDIN-4-YL)PIPERAZINES AND -PIPERIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003010160-A2 1-GLYCINYL-4 (METHYLPIPERIDIN-4-YL) PIPERAZINES AND -PIPERRIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-02-06 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-20050026928-A1 Chemical compounds F2, F12, F11 MAPK1 2581/4885ALDH1A1 1389/4885LMNA 1275/4885

“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.