SCHEMBL3586474

SCHEMBL3586474

C[C@@H]1CCCN1C[C@@H]1CCCN1C(=O)c1ccc(OCc2cscn2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 8/20 0.40
ALOX5 P09917 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
KCNH2 Q12809 3/20 0.39
CYP3A4 P08684 2/20 0.39
PDE4B Q07343 2/20 0.39
MET P08581 2/20 0.36
PREP P48147 1/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL4662385 1.00 CPS1 (0.40) CPS1ALOX5HRH3KCNH2CYP3A4
SCHEMBL12993581 1.00 CPS1 (0.40) CPS1ALOX5HRH3KCNH2CYP3A4
SCHEMBL3574764 0.90 ALOX5 (0.38) ALOX5HRH3KCNH2CYP3A4PDE4B
SCHEMBL3574763 0.90 ALOX5 (0.38) ALOX5HRH3KCNH2CYP3A4PDE4B
SCHEMBL12993582 0.90 ALOX5 (0.38) ALOX5HRH3KCNH2CYP3A4PDE4B
SCHEMBL3578481 0.88 MET (0.45) HRH3MET
SCHEMBL3578478 0.88 MET (0.45) HRH3MET
SCHEMBL3587048 0.87 ALOX5 (0.39) CPS1ALOX5HRH3KCNH2CYP3A4
SCHEMBL3587046 0.87 ALOX5 (0.39) CPS1ALOX5HRH3KCNH2CYP3A4
SCHEMBL12993585 0.87 ALOX5 (0.39) CPS1ALOX5HRH3KCNH2CYP3A4

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-7846950-B2 Histamine H3 receptor inhibitors, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-12-07 US claimed
EP-1805169-B1 HISTAMINE H3 RECEPTOR INHIBITORS, THEIR PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2008-12-24 EP claimed
US-20080015235-A1 Histamine H3 Receptor Inhibitors, Preparation and Therapeutic Uses JESUDASON CYNTHIA D 2008-01-17 US claimed
US-7846950-B2 Histamine H3 receptor inhibitors, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
US-7846950-B2 Histamine H3 receptor inhibitors, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
US-7846950-B2 Histamine H3 receptor inhibitors, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-1805169-B1 HISTAMINE H3 RECEPTOR INHIBITORS, THEIR PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2008-12-24 EP disclosed
US-20080015235-A1 Histamine H3 Receptor Inhibitors, Preparation and Therapeutic Uses JESUDASON CYNTHIA D 2008-01-17 US disclosed
US-20080015235-A1 Histamine H3 Receptor Inhibitors, Preparation and Therapeutic Uses JESUDASON CYNTHIA D 2008-01-17 US disclosed
US-20080015235-A1 Histamine H3 Receptor Inhibitors, Preparation and Therapeutic Uses JESUDASON CYNTHIA D 2008-01-17 US disclosed
EP-1805169-A1 HISTAMINE H3 RECEPTOR INHIBITORS, THEIR PREPARATION AND THERAPEUTIC USES Eli Lilly and Company (US) 2007-07-11 EP disclosed
WO-2006044228-A1 HISTAMINE H3 RECEPTOR INHIBITORS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-04-27 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 (1 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-20080015235-A1 Histamine H3 Receptor Inhibitors, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 CPS1 3742/4885ALOX5 1625/4885HRH3 1/4885

“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.