SCHEMBL6420823

SCHEMBL6420823

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
HRH4 Q9H3N8 4/20 0.47
MAPT P10636 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TGM2 P21980 6/20 0.46
F13A1 P00488 5/20 0.46
TGM1 P22735 4/20 0.46
TGM3 Q08188 1/20 0.46
STS P08842 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 1/20 0.44
ALOX15 P16050 1/20 0.42
F10 P00742 1/20 0.42
CHEK2 O96017 1/20 0.42

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
SCHEMBL6420820 0.92 MAPT (0.47) MAPTTGM2F13A1TGM1TGM3
SCHEMBL6729018 0.79 F10 (0.60) HRH4MAPTHRH3TGM2F13A1
SCHEMBL23964227 0.78 LMNA (0.53) BACE1HRH4HRH3LMNAF10
SCHEMBL29060789 0.78 MAPT (0.73) MAPTTGM2F13A1TGM1TGM3
SCHEMBL6725496 0.78 MEN1 (0.51) MAPTTGM2F13A1TGM1TGM3
SCHEMBL5202414 0.76 STS (0.57) MAPTTGM2F13A1TGM1TGM3
SCHEMBL6731244 0.76 TGM2 (0.48) MAPTTGM2F13A1TGM1TGM3
SCHEMBL6421218 0.75 F10 (0.51) HRH4HRH3ALDH1A1LMNAMEN1
SCHEMBL5253160 0.75 POLB (0.70) TGM2F13A1TGM1STSLMNA
SCHEMBL22241599 0.73 MEN1 (0.51) MAPTTGM2F13A1TGM1TGM3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528061-A1 Heterocyclic derivatives which inhibit factor Xa AstraZeneca AB (SE) 2005-05-04 EP disclosed
US-20040266759-A1 Heterocyclic derivatives which inhibit factor Xa ASTRAZENECA AB 2004-12-30 US disclosed
EP-1082321-B1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-6753331-B1 INDOL-2-YLSULPHONYL-4-(4-(HETEROCYCLE)BENZOYL)PIPERAZINE DERIVATIVES AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2004-06-22 US disclosed
EP-1082321-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999057113-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 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 (1 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-20040266759-A1 Heterocyclic derivatives which inhibit factor Xa F12, TFPI, F2 BACE1 723/4885HRH4 753/4885MAPT 4850/4885

“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.