SCHEMBL6106826

SCHEMBL6106826

COC(=O)c1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.70
▸ ALDH1A1 P00352 6/20 0.70
▸ HPGD P15428 4/20 0.70
▸ HSD17B10 Q99714 4/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ ALOX12 P18054 1/20 0.70
▸ KMT2A Q03164 5/20 0.64
▸ L3MBTL1 Q9Y468 4/20 0.64
▸ MAPT P10636 5/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ MEN1 O00255 2/20 0.56
▸ RBP4 P02753 1/20 0.55
▸ FAAH O00519 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL6107814 0.89 HCAR2 (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6105616 0.85 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5061872 0.84 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL1222027 0.83 KMT2A (0.57) KDM4ESMN1; SMN2KMT2AMAPTMEN1
SCHEMBL1222562 0.82 POLB (0.60) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL5062917 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7352143 0.81 KMT2A (0.52) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL1943770 0.80 MEN1 (0.66) KDM4EKMT2AMAPTMAPK1MEN1
SCHEMBL5052482 0.79 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3599162 0.79 MAPT (0.68) KDM4EALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 — — US disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 — — US disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 — — EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 — — US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 — — US disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 — — 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 (2 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-20040029874-A1 Aromatic amides F11, F12, F5 KDM4E 1065/4885ALDH1A1 1238/4885HPGD 1924/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 KDM4E 1065/4885ALDH1A1 1238/4885HPGD 1924/4885

“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.

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