SCHEMBL4677937

SCHEMBL4677937

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2CCN(C)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
CTSK P43235 2/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 1/20 0.49
ELANE P08246 1/20 0.47
PREP P48147 1/20 0.47
TSHR P16473 1/20 0.47
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44
CTSS P25774 1/20 0.41
CCR1 P32246 2/20 0.40

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
SCHEMBL5143005 0.91 KMT2A (0.47) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL5142639 0.91 KMT2A (0.47) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL5142586 0.89 KMT2A (0.46) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL4682461 0.88 HRH2 (0.47) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL19982033 0.88 CTSK (0.54) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL4684724 0.86 KMT2A (0.48) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL19981944 0.85 KMT2A (0.55) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL19981901 0.85 KMT2A (0.55) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL2775499 0.85 KMT2A (0.55) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL9546846 0.84 KMT2A (0.54) KMT2AMEN1CTSKCTSLCTSB

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 KMT2A 2093/4885MEN1 429/4885CTSK 2639/4885

“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.