SCHEMBL4837140

SCHEMBL4837140

O=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccccc1)N1CCN(CCc2ccccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
THRB P10828 2/20 0.47
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ACHE P22303 1/20 0.36
F10 P00742 1/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4839906 0.88 THRB (0.45) THRBLMNAOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL4842289 0.87 THRB (0.44) THRBLMNAOPRM1OPRD1OPRK1
SCHEMBL4832436 0.85 THRB (0.45) TP53THRBOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL4832390 0.82 THRB (0.42) TP53THRBLMNAHTR1ADRD4
SCHEMBL6344306 0.81 EPHX2 (0.40) F10
SCHEMBL6218589 0.78 GAA (0.46) LMNAKDM4EALDH1A1F10MAPT
SCHEMBL4840453 0.78 THRB (0.41) THRBLMNAOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL4836941 0.78 CACNA2D1 (0.46) KDM4EALDH1A1ACHEF10
SCHEMBL4839910 0.78 TP53 (0.55) TP53THRBLMNAOPRM1OPRD1
SCHEMBL6421903 0.78 F10 (0.46) ACHEF10

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 10 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
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (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 TP53 2550/4885THRB 1735/4885LMNA 904/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TP53 4473/4885THRB 4088/4885LMNA 70/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TP53 4473/4885THRB 4088/4885LMNA 70/4885

“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.