SCHEMBL6107814

SCHEMBL6107814

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2C(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 9/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RBP4 P02753 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ ABCC1 P33527 1/20 0.48

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
SCHEMBL6106826 0.89 KDM4E (0.70) KDM4EALDH1A1HPGDALOX12SMN1; SMN2
SCHEMBL1222027 0.84 KMT2A (0.57) KDM4ESMN1; SMN2MAPTNAMPTKMT2A
SCHEMBL6108896 0.84 KMT2A (0.52) MAPTNAMPTKMT2AMEN1ABCC1
SCHEMBL6106035 0.83 S1PR2 (0.52) KDM4EALDH1A1SMN1; SMN2RBP4MAPT
SCHEMBL6107730 0.83 MEN1 (0.55) KDM4EHPGDHSD17B10RBP4MAPT
SCHEMBL6714730 0.83 HCAR2 (0.60) HCAR2KDM4EALDH1A1HPGDALOX12
SCHEMBL14525000 0.82 ALDH1A1 (0.57) KDM4EALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL3599162 0.82 MAPT (0.68) KDM4EALDH1A1RBP4MAPTNAMPT
SCHEMBL17205899 0.82 RXFP1 (0.53) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6107827 0.82 HCAR2 (0.59) HCAR2KDM4EALDH1A1HPGDALOX12

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 HCAR2 1559/4885KDM4E 1065/4885ALDH1A1 1238/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 HCAR2 1559/4885KDM4E 1065/4885ALDH1A1 1238/4885

“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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