SCHEMBL6106836

SCHEMBL6106836

CC(C)(C)OC(=O)N1CCC(CNc2cc(CO)ccc2C(=O)Nc2ccc(Cl)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ F10 P00742 10/20 0.43
▸ WNT3A P56704 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL6107992 0.89 KDM4E (0.47) NR3C1BRD4F10KDM4EPKM
SCHEMBL6109876 0.88 F10 (0.54) NR3C1F10KCNH2
SCHEMBL6107135 0.85 F10 (0.47) NR3C1F10KDM4EPKMKCNH2
SCHEMBL6108337 0.85 F10 (0.47) NR3C1BRD4F10WNT3AKDM4E
SCHEMBL6108300 0.84 F10 (0.60) NR3C1F10KCNH2
Hydrochloric Acid SCHEMBL6108417 0.84 F10 (0.57) F10
SCHEMBL6110502 0.82 F10 (0.50) F10
SCHEMBL6107829 0.80 F10 (0.61) NR3C1F10KCNH2TP53MAPT
SCHEMBL5758733 0.78 KDM4E (0.48) NR3C1BRD4F10KDM4EPKM
SCHEMBL6107073 0.77 F10 (0.48) NR3C1F10KCNH2TP53

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-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
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — 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 (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 NR3C1 4435/4885BRD4 2143/4885F10 12/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 NR3C1 4435/4885BRD4 2143/4885F10 12/4885

“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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