SCHEMBL4833053

SCHEMBL4833053

COc1ccc(C(=O)N(CC(=O)N2CCN(C3CCN(C)CC3)CC2)c2csc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ORAI1 Q96D31 1/20 0.42
ACHE P22303 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
HTR2A P28223 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
BDKRB1 P46663 1/20 0.38
CHRM3 P20309 1/20 0.38
CCR3 P51677 1/20 0.38
HTR7 P34969 1/20 0.37

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 SCHEMBL4837121 0.99 KDM4E (0.41) KDM4EALDH1A1ORAI1ACHEMAPT
SCHEMBL4832817 0.85 ALDH1A1 (0.44) KDM4EALDH1A1ORAI1ACHEMAPT
Hydrochloric Acid SCHEMBL4840498 0.85 ALDH1A1 (0.43) KDM4EALDH1A1ORAI1ACHEMAPT
SCHEMBL4840253 0.84 KDM4E (0.45) KDM4EALDH1A1ORAI1ACHEMAPT
SCHEMBL4832630 0.83 ALDH1A1 (0.50) KDM4EALDH1A1ORAI1ACHEMAPT
Hydrochloric Acid SCHEMBL4841921 0.83 KDM4E (0.44) KDM4EALDH1A1ORAI1ACHETDP1
Hydrochloric Acid SCHEMBL4841000 0.82 KDM4E (0.49) KDM4EALDH1A1ORAI1ACHEMAPT
SCHEMBL4840385 0.82 ACACB (0.41) ACHEMAPTF2F10L3MBTL3
SCHEMBL4842608 0.81 KDM4E (0.43) KDM4EALDH1A1ORAI1ACHETDP1
Hydrochloric Acid SCHEMBL4844662 0.81 ALDH1A1 (0.43) KDM4EALDH1A1ORAI1ACHETDP1

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 KDM4E 3205/4885ALDH1A1 2408/4885ORAI1 3731/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885ALDH1A1 2261/4885ORAI1 4505/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885ALDH1A1 2261/4885ORAI1 4505/4885

“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.