SCHEMBL4840912

SCHEMBL4840912

O=C(CNc1ccccc1)N1CCN(CCc2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.53
HTR1A P08908 4/20 0.53
DRD2 P14416 4/20 0.53
POLB P06746 1/20 0.53
THRB P10828 3/20 0.52
FAAH O00519 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNH2 Q12809 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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 SCHEMBL4832771 0.99 P2RX7 (0.52) P2RX7HTR1ADRD2POLBTHRB
Hydrochloric Acid SCHEMBL4840698 0.99 P2RX7 (0.52) P2RX7HTR1ADRD2POLBTHRB
SCHEMBL4836752 0.87 KDM4E (0.54) P2RX7HTR1ADRD2FAAHMEN1
SCHEMBL4837082 0.85 POLB (0.53) P2RX7HTR1ADRD2POLBTHRB
SCHEMBL4173376 0.82 NOS3 (0.61) HTR1ADRD2POLBTHRBMEN1
SCHEMBL4837486 0.82 P2RX7 (0.46) P2RX7HTR1ADRD2FAAHKCNH2
SCHEMBL4836758 0.82 TP53 (0.58) HTR1ADRD2THRBFAAHLMNA
SCHEMBL4832913 0.81 P2RX7 (0.46) P2RX7HTR1ADRD2THRBFAAH
SCHEMBL4832643 0.81 FAAH (0.45) P2RX7HTR1ADRD2FAAHMEN1
Hydrochloric Acid SCHEMBL4840629 0.81 P2RX7 (0.46) P2RX7HTR1ADRD2FAAHKCNH2

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 P2RX7 3718/4885HTR1A 740/4885DRD2 2564/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 P2RX7 3815/4885HTR1A 754/4885DRD2 1816/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 P2RX7 3815/4885HTR1A 754/4885DRD2 1816/4885

“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.