SCHEMBL4836758

SCHEMBL4836758

O=C(CNc1ccccc1)N1CCN(CCc2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.58
THRB P10828 2/20 0.57
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL4832913 0.87 P2RX7 (0.46) TP53THRBKDM4EALDH1A1HTR1A
SCHEMBL4832544 0.86 TP53 (0.43) TP53THRBKDM4EALDH1A1HTR1A
SCHEMBL4832750 0.84 FAAH (0.43) TP53THRBKDM4EALDH1A1HTR1A
SCHEMBL4840912 0.82 P2RX7 (0.53) THRBHTR1ADRD2LMNAFAAH
Hydrochloric Acid SCHEMBL4832771 0.81 P2RX7 (0.52) THRBHTR1ADRD2LMNATSHR
Hydrochloric Acid SCHEMBL4840698 0.81 P2RX7 (0.52) THRBHTR1ADRD2LMNATSHR
SCHEMBL6987892 0.81 FAAH (0.42) KDM4EALDH1A1TSHRFAAH
Hydrochloric Acid SCHEMBL4837366 0.80 FAAH (0.41) KDM4EALDH1A1TSHRFAAH
SCHEMBL4836752 0.79 KDM4E (0.54) KDM4EALDH1A1HTR1ADRD2FAAH
SCHEMBL8149721 0.78 THRB (0.65) TP53THRBKDM4EALDH1A1LMNA

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 1735/4885KDM4E 3205/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TP53 4473/4885THRB 4088/4885KDM4E 3503/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TP53 4473/4885THRB 4088/4885KDM4E 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.