SCHEMBL6109569

SCHEMBL6109569

O=C(Nc1ccc(Cl)cn1)c1ccccc1NCC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.58
▸ MCHR1 Q99705 1/20 0.54
▸ PDCD1 Q15116 2/20 0.54
▸ CD274 Q9NZQ7 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ JAK2 O60674 1/20 0.52
▸ JAK1 P23458 1/20 0.52
▸ TYK2 P29597 1/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51

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 0.97 ALDH1A1 (0.58) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6106144 0.96 F10 (0.57) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6109304 0.95 F10 (0.54) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6611839 0.95 F10 (0.54) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6109165 0.95 F10 (0.54) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6108154 0.94 F10 (0.53) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6108055 0.93 JAK2 (0.53) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6106151 0.92 CACNA1I (0.55) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6108103 0.91 F10 (0.50) F10MCHR1PDCD1CD274ALDH1A1
SCHEMBL6107296 0.91 F10 (0.54) F10MCHR1PDCD1CD274ALDH1A1

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 12/4885MCHR1 4322/4885PDCD1 3244/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885MCHR1 4322/4885PDCD1 3244/4885

“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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