SCHEMBL6106846

SCHEMBL6106846

O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)OCC1CCN(Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.52
▸ ACHE P22303 4/20 0.52
▸ MAOB P27338 3/20 0.52
▸ F10 P00742 9/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ PDCD1 Q15116 2/20 0.49
▸ CD274 Q9NZQ7 2/20 0.49
▸ CHRM3 P20309 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 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
SCHEMBL6107711 0.82 ALDH1A1 (0.58) BCHEACHEMAOBF10ALDH1A1
Hydrochloric Acid SCHEMBL6106700 0.82 F10 (0.58) F10CHRM3
SCHEMBL6107157 0.82 CHRM2 (0.64) F10CHRM3
SCHEMBL6109188 0.81 F10 (0.64) F10ALDH1A1PDCD1CD274
SCHEMBL6107073 0.80 F10 (0.48) F10
SCHEMBL6109569 0.79 F10 (0.58) MAOBF10ALDH1A1PDCD1CD274
Trifluoroacetic Acid SCHEMBL6108839 0.79 CHRM3 (0.57) F10CHRM3
SCHEMBL6108661 0.78 F10 (0.65) F10ALDH1A1PDCD1CD274
SCHEMBL6106144 0.78 F10 (0.57) F10ALDH1A1PDCD1CD274
SCHEMBL6107296 0.77 F10 (0.54) MAOBF10ALDH1A1PDCD1CD274

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 BCHE 1044/4885ACHE 1218/4885MAOB 401/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 BCHE 1044/4885ACHE 1218/4885MAOB 401/4885

“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.

Send feedback