SCHEMBL4836752

SCHEMBL4836752

O=C(CNc1ccccc1)N1CCN(CCc2cccnc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTR1A P08908 4/20 0.53
DRD2 P14416 4/20 0.53
P2RX7 Q99572 1/20 0.53
ALOX15 P16050 1/20 0.50
FAAH O00519 1/20 0.48
C3AR1 Q16581 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 1/20 0.47
CHRNA7 P36544 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL4840912 0.87 P2RX7 (0.53) HTR1ADRD2P2RX7FAAHMEN1
Hydrochloric Acid SCHEMBL4832771 0.86 P2RX7 (0.52) HTR1ADRD2P2RX7FAAHMEN1
Hydrochloric Acid SCHEMBL4840698 0.86 P2RX7 (0.52) HTR1ADRD2P2RX7FAAHMEN1
SCHEMBL4176971 0.83 TSHR (0.64) KDM4EALDH1A1HTR1ADRD2ALOX15
SCHEMBL4832913 0.83 P2RX7 (0.46) KDM4EALDH1A1HTR1ADRD2P2RX7
SCHEMBL4183633 0.82 KDM4E (0.70) KDM4EALDH1A1HTR1ADRD2P2RX7
SCHEMBL4837486 0.81 P2RX7 (0.46) KDM4EALDH1A1HTR1ADRD2P2RX7
SCHEMBL4832643 0.81 FAAH (0.45) KDM4EALDH1A1HTR1ADRD2P2RX7
Hydrochloric Acid SCHEMBL4840629 0.81 P2RX7 (0.46) KDM4EALDH1A1HTR1ADRD2P2RX7
SCHEMBL4832544 0.80 TP53 (0.43) KDM4EALDH1A1HTR1AP2RX7FAAH

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

“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.