SCHEMBL4841628

SCHEMBL4841628

COc1ccc(C(=O)N(CC(=O)N2CCN(C3CCN(C)CC3)CC2)c2cccc3cccnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ORAI1 Q96D31 1/20 0.41
ACHE P22303 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4832817 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EORAI1ACHEMAPT
Hydrochloric Acid SCHEMBL4840498 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EORAI1ACHEMAPT
Hydrochloric Acid SCHEMBL4837377 0.83 F10 (0.47) ALDH1A1KDM4EMAPTKMT2AL3MBTL3
SCHEMBL4840253 0.83 KDM4E (0.45) ALDH1A1KDM4EORAI1ACHEMAPT
SCHEMBL4838454 0.82 ALDH1A1 (0.40) HTR1AALDH1A1KDM4EACHEKMT2A
Hydrochloric Acid SCHEMBL4841921 0.82 KDM4E (0.44) ALDH1A1KDM4EORAI1ACHETSHR
Hydrochloric Acid SCHEMBL4840285 0.81 F10 (0.39) HTR1AKDM4EL3MBTL3L3MBTL1
SCHEMBL4842608 0.81 KDM4E (0.43) ALDH1A1KDM4EORAI1ACHETSHR
Hydrochloric Acid SCHEMBL4844662 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EORAI1ACHETSHR
SCHEMBL4832630 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EORAI1ACHEMAPT

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 HTR1A 740/4885ALDH1A1 2408/4885KDM4E 3205/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 HTR1A 754/4885ALDH1A1 2261/4885KDM4E 3503/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 HTR1A 754/4885ALDH1A1 2261/4885KDM4E 3503/4885

“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.