SCHEMBL4450690

SCHEMBL4450690

CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)[C@H]1C(=O)N1CCCN(C2CCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.42
HRH3 Q9Y5N1 14/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
KCNH2 Q12809 3/20 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
SCHEMBL4321123 0.86 HRH3 (0.42) HRH3KCNH2
SCHEMBL4450564 0.85 PREP (0.47) PREPHRH3HSD17B10HPGDKCNH2
SCHEMBL4448610 0.80 HRH3 (0.56) HRH3KCNH2
SCHEMBL4445142 0.79 HRH3 (0.59) HRH3KCNH2
SCHEMBL4453331 0.78 HRH3 (0.56) HRH3KCNH2
SCHEMBL4447000 0.78 HRH3 (0.57) HRH3KCNH2
SCHEMBL11924584 0.78 HSD17B10 (0.62) PREPHRH3HSD17B10HPGDKCNH2
SCHEMBL15690376 0.76 NR1H2 (0.39) HSD17B10
SCHEMBL600317 0.76 HPGD (0.54) PREPHRH3HPGD
SCHEMBL31239750 0.74 NR1H2 (0.44) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236792-B2 Substituted pyrrolidine amides as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-08-07 US disclosed
US-20090291903-A1 SUBSTITUTED PYRROLIDINE AMIDES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-26 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-20090291903-A1 SUBSTITUTED PYRROLIDINE AMIDES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 PREP 484/4885HRH3 1/4885HSD17B10 4236/4885

“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.