SCHEMBL4841732

SCHEMBL4841732

COc1ccc(C(=O)N(CC(=O)N2CCN(CC3CCN(C)CC3)CC2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
CACNA2D1 P54289 1/20 0.53
CACNA1B Q00975 1/20 0.53
CACNB1 Q02641 1/20 0.53
CACNA1C Q13936 1/20 0.53
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
PTGIR P43119 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
BDKRB1 P46663 1/20 0.44
OPRM1 P35372 3/20 0.44
DRD2 P14416 1/20 0.43
KCNA5 P22460 1/20 0.43
DRD3 P35462 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 1/20 0.43
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL6372221 0.99 ACHE (0.54) ACHECACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4840176 0.91 ACHE (0.53) ACHECHRM3PTGIRMEN1POLB
SCHEMBL6376440 0.90 ACHE (0.56) ACHECHRM3PTGIRMEN1POLB
Hydrochloric Acid SCHEMBL6376437 0.89 ACHE (0.51) ACHECACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL4841747 0.89 ACHE (0.51) ACHECACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4837336 0.88 ACHE (0.52) ACHEPTGIRMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL6371484 0.87 ACHE (0.55) ACHECHRM3PTGIRMEN1POLB
SCHEMBL4832630 0.87 ALDH1A1 (0.50) ACHECHRM5CHRM1CHRM3PTGIR
Hydrochloric Acid SCHEMBL4841000 0.86 KDM4E (0.49) ACHECHRM5CHRM1CHRM3PTGIR
Trifluoroacetic Acid SCHEMBL4837060 0.85 ACHE (0.49) ACHECACNA2D1CACNA1BCACNB1CHRM3

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-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US 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 (3 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 ACHE 3190/4885CACNA2D1 3095/4885CACNA1B 3725/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885CACNA2D1 1527/4885CACNA1B 2133/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885CACNA2D1 1527/4885CACNA1B 2133/4885

“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.