SCHEMBL5758733

SCHEMBL5758733

CC(C)(C)OC(=O)N1CCC(CNc2ccc(Cl)cc2C(=O)Nc2ccccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ GRIN2B Q13224 2/20 0.48
▸ BRD4 O60885 1/20 0.46
▸ KCNMA1 Q12791 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NR3C1 P04150 2/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ UTS2R Q9UKP6 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ TGFBR1 P36897 2/20 0.43
▸ F10 P00742 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 0.90 F10 (0.54) NR3C1F10
SCHEMBL6108337 0.84 F10 (0.47) KDM4EPKMBRD4NR3C1TP53
SCHEMBL6107135 0.84 F10 (0.47) KDM4EPKMNR3C1LMNATP53
SCHEMBL5759686 0.84 F10 (0.58) KDM4EGRIN2BKCNMA1GAAHPGD
SCHEMBL3035919 0.82 GRIN2B (0.68) KDM4EPKMGRIN2BGPR119TGFBR1
SCHEMBL5758729 0.81 MEN1 (0.48) KDM4EKCNMA1GAAHPGDALOX15
SCHEMBL5758058 0.80 KCNMA1 (0.55) KDM4EKCNMA1GAAHPGDALOX15
SCHEMBL3156215 0.80 KDM4E (0.45) KDM4EKCNMA1GAAHPGDALOX15
SCHEMBL7244293 0.78 KDM4E (0.50) KDM4EKCNMA1GAAHPGDALOX15
SCHEMBL6106836 0.78 NR3C1 (0.45) KDM4EPKMBRD4NR3C1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140881-B1 ANTITHROMBOTIC AMIDES LILLY CO ELI (US) 2006-05-17 — — EP disclosed
US-6780878-B2 ANTICOAGULANTS; CARDIOVASACULAR DISORDERS ELI LILLY AND COMPANY 2004-08-24 — — US disclosed
US-6716839-B2 INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY 2004-04-06 — — US disclosed
US-6716855-B2 INHIBITOR OF FACTOR XA; N1-(BENZOYL)-N2-(1-(4-PYRIDYL)PIPERIDIN-4-YL-METHYL)-1,2-BENZENDIAMINE HIGH BIOAVAILABILITY ELI LILLY AND COMPANY 2004-04-06 — — US disclosed
US-6710057-B2 INHIBITORS OF FACTOR XA, AS ANTICOAGULANTS FOR PROPHYLAXIS AND TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2004-03-23 — — US disclosed
US-20030212069-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-11-13 — — US disclosed
US-20030199504-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 — — US disclosed
US-20030199505-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 — — US disclosed
US-20030191153-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-09 — — US disclosed
US-6610704-B1 Inhibit factor Xa ELI LILLY AND COMPANY 2003-08-26 — — 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 (4 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-20030191153-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDM4E 2930/4885PKM 2657/4885GRIN2B 3343/4885
US-20030199504-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDM4E 2930/4885PKM 2657/4885GRIN2B 3343/4885
US-20030212069-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDM4E 2930/4885PKM 2657/4885GRIN2B 3343/4885
US-20030199505-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDM4E 2930/4885PKM 2657/4885GRIN2B 3343/4885

“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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