SCHEMBL6735768

SCHEMBL6735768

O=C(c1ccc(Sc2ccc(OC(F)(F)F)cc2)nc1)N1CCCC1CN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
BRAF P15056 1/20 0.45
EGLN1 Q9GZT9 4/20 0.44
MET P08581 6/20 0.44
EPHX2 P34913 1/20 0.41
ALK Q9UM73 1/20 0.41

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
SCHEMBL6734269 1.00 HRH3 (0.54) HRH3BRAFEGLN1METEPHX2
Hydrochloric Acid SCHEMBL2743505 0.99 HRH3 (0.53) HRH3BRAFEGLN1METEPHX2
Hydrochloric Acid SCHEMBL2743503 0.99 HRH3 (0.53) HRH3BRAFEGLN1METEPHX2
SCHEMBL1793748 0.85 HRH3 (0.57) HRH3EGLN1METEPHX2
SCHEMBL1793754 0.85 HRH3 (0.57) HRH3EGLN1METEPHX2
SCHEMBL1795444 0.84 HRH3 (0.68) HRH3METEPHX2
SCHEMBL1795442 0.84 HRH3 (0.68) HRH3METEPHX2
Hydrochloric Acid SCHEMBL1797032 0.84 HRH3 (0.56) HRH3EGLN1METEPHX2
Hydrochloric Acid SCHEMBL1797028 0.84 HRH3 (0.56) HRH3EGLN1METEPHX2
SCHEMBL3278791 0.79 HRH3 (0.64) HRH3MET

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178528-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2012-05-15 US disclosed
US-8178528-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2012-05-15 US disclosed
US-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2010-06-24 US disclosed
US-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2010-06-24 US 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-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 HRH3 1/4885BRAF 3912/4885EGLN1 745/4885

“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.