SCHEMBL4840441

SCHEMBL4840441

N#Cc1cc(CCN2CCNCC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
SLC6A4 P31645 2/20 0.49
KCNH2 Q12809 6/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNJ1 P48048 5/20 0.45
HRH3 Q9Y5N1 4/20 0.45
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45
KDR P35968 1/20 0.43
CXCR4 P61073 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
LTA4H P09960 1/20 0.37

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
SCHEMBL4844013 0.86 CYP1A2 (0.55) SIGMAR1KCNH2SLC6A3KCNJ1HRH3
SCHEMBL17779131 0.75 MEN1 (0.45) SIGMAR1
SCHEMBL14555485 0.75 SIGMAR1 (0.50) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL14486466 0.74 SIGMAR1 (0.49) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL1935424 0.74 TDP1 (0.70) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4842661 0.73 GPR119 (0.48) POLB
Hydrochloric Acid SCHEMBL4832689 0.72 TDP1 (0.68) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4832270 0.72 TDP1 (0.68) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4842468 0.72 TDP1 (0.68) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2728949 0.72 KCNH2 (0.58) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3

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 12 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
CN-1213040-C Serine protease inhibitors LILLY CO ELI (US) 2005-08-03 CN 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
CN-1438999-A Serine protease inhibitors LILLY CO ELI (US) 2003-08-27 CN 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 SIGMAR1 639/4885SLC6A4 4031/4885KCNH2 4353/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885SLC6A4 4193/4885KCNH2 3744/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885SLC6A4 4193/4885KCNH2 3744/4885

“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.