SCHEMBL6106785

SCHEMBL6106785

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.52
▸ CHRM1 P11229 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CRHR1 P34998 1/20 0.47
▸ FLT3 P36888 1/20 0.46
▸ TDP1 Q9NUW8 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
SCHEMBL6106827 0.92 F10 (0.52) F10CHRM1CHRM2CHRM3CRHR1
SCHEMBL6106818 0.92 F10 (0.58) F10
SCHEMBL6107921 0.89 F10 (0.52) F10CHRM1SMN1; SMN2NPC1TSHR
SCHEMBL6107029 0.87 F10 (0.55) F10SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6107299 0.85 F10 (0.51) F10CHEK1
SCHEMBL6107653 0.85 F10 (0.52) F10CHRM1NPC1ALDH1A1RAB9A
SCHEMBL6108204 0.85 CRHR1 (0.47) F10SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL6106469 0.84 F10 (0.64) F10SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL6107878 0.84 F10 (0.53) F10FLT3CHEK1
SCHEMBL6106722 0.83 F10 (0.49) 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 12/4885CHRM1 3059/4885CHRM2 3401/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885CHRM1 3059/4885CHRM2 3401/4885

“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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