SCHEMBL6106827

SCHEMBL6106827

O=C(Nc1ccc(F)cn1)c1cc(Cl)ccc1NCC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.52
▸ CRHR1 P34998 2/20 0.51
▸ CHRM1 P11229 4/20 0.47
▸ CHRM2 P08172 2/20 0.47
▸ CHRM3 P20309 2/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ FLT3 P36888 1/20 0.46
▸ CHEK1 O14757 1/20 0.45

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
SCHEMBL6106785 0.92 F10 (0.52) F10CRHR1CHRM1CHRM2CHRM3
SCHEMBL6106818 0.92 F10 (0.58) F10
SCHEMBL6108204 0.89 CRHR1 (0.47) F10CRHR1CHEK1
SCHEMBL6107653 0.89 F10 (0.52) F10CRHR1CHRM1CHEK1
SCHEMBL6107921 0.85 F10 (0.52) F10CHRM1CHEK1
SCHEMBL6107514 0.84 F10 (0.64) F10CRHR1
SCHEMBL5758058 0.84 KCNMA1 (0.55) F10CHRM1CHRM2CHRM3CHRM4
SCHEMBL6107029 0.83 F10 (0.55) F10CHEK1
SCHEMBL6107299 0.81 F10 (0.51) F10CHEK1
Trifluoroacetic Acid SCHEMBL6107743 0.80 F10 (0.56) F10

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 12/4885CRHR1 3637/4885CHRM1 3059/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885CRHR1 3637/4885CHRM1 3059/4885

“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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