SCHEMBL6107921

SCHEMBL6107921

Cc1ccc(NCC2CCNCC2)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.52
▸ RAB9A P51151 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KLKB1 P03952 2/20 0.45
▸ 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
SCHEMBL6107653 0.92 F10 (0.52) F10RAB9ACHRM1NPC1KLKB1
SCHEMBL6106818 0.92 F10 (0.58) F10KLKB1
SCHEMBL6108204 0.89 CRHR1 (0.47) F10RAB9ATP53SMN1; SMN2NPC1
SCHEMBL6106785 0.89 F10 (0.52) F10RAB9ATSHRSMN1; SMN2CHRM1
SCHEMBL6107299 0.87 F10 (0.51) F10KLKB1CHEK1
SCHEMBL6107029 0.87 F10 (0.55) F10RAB9ASMN1; SMN2NPC1ALOX15
SCHEMBL6107878 0.86 F10 (0.53) F10CHEK1
SCHEMBL6108954 0.85 F10 (0.65) F10RAB9ATP53TSHRNFKB1
SCHEMBL6106827 0.85 F10 (0.52) F10CHRM1CHEK1
SCHEMBL6107309 0.84 F10 (0.51) 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 12/4885RAB9A 2097/4885TP53 4274/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885RAB9A 2097/4885TP53 4274/4885

“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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