SCHEMBL6108337

SCHEMBL6108337

CC(C)(C)OC(=O)N1CCC(CNc2ccc(N)cc2C(=O)Nc2ccc(Cl)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.47
▸ NR3C1 P04150 2/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ KLKB1 P03952 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL6109876 0.93 F10 (0.54) F10NR3C1KCNH2KLKB1
SCHEMBL6107135 0.90 F10 (0.47) F10NR3C1KCNH2KDM4EPKM
SCHEMBL6107992 0.85 KDM4E (0.47) F10NR3C1KCNH2KDM4EPKM
SCHEMBL6106836 0.85 NR3C1 (0.45) F10NR3C1KCNH2KDM4EPKM
SCHEMBL5758733 0.84 KDM4E (0.48) F10NR3C1KDM4EPKMBRD4
SCHEMBL6108331 0.81 NR3C1 (0.46) F10NR3C1KCNH2WNT3ATP53
SCHEMBL6107471 0.81 F10 (0.47) F10KLKB1
SCHEMBL6107182 0.81 F10 (0.56) F10KCNH2KLKB1
SCHEMBL5384090 0.81 F10 (0.71) F10NR3C1KCNH2
SCHEMBL6106436 0.79 F10 (0.58) F10KCNH2KLKB1

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 F10 12/4885NR3C1 4435/4885KCNH2 1804/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885NR3C1 4435/4885KCNH2 1804/4885

“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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