SCHEMBL4832764

SCHEMBL4832764

c1n[nH]cc1CCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 2/20 0.45
KCNJ1 P48048 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR1A P08908 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL27955520 0.84 CYP1A2 (0.51) SIGMAR1SLC6A3HTR1ACYP3A4CYP2D6
SCHEMBL26098964 0.82 SIGMAR1 (0.52) SIGMAR1
SCHEMBL35212079 0.81 SIGMAR1 (0.47) SIGMAR1KCNH2HTR1A
SCHEMBL28258991 0.76 LTA4H (0.46) SIGMAR1SLC6A4SLC6A3LTA4H
SCHEMBL21263656 0.72 NOS2 (0.44) KCNH2
SCHEMBL3634794 0.71 KCNH2 (0.59) SIGMAR1SLC6A4KCNH2KCNJ1SLC6A2
SCHEMBL1935424 0.71 TDP1 (0.70) SIGMAR1SLC6A4KCNH2KCNJ1SLC6A2
Hydrochloric Acid SCHEMBL7812006 0.71 SIGMAR1 (0.54) SIGMAR1KCNH2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7818883 0.71 SIGMAR1 (0.54) SIGMAR1KCNH2CYP3A4CYP2D6
SCHEMBL41969 0.71 SIGMAR1 (0.79) SIGMAR1SLC6A4KCNH2KCNJ1SLC6A3

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 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.