SCHEMBL3758725

SCHEMBL3758725

Nc1nc2c(c(N3C[C@H]4CCCN(C(=O)O)[C@H]4C3)n1)CCC(c1ccccc1Cl)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HCAR2 Q8TDS4 1/20 0.39
JAK3 P52333 1/20 0.34
ADRA1A P35348 1/20 0.34
HSD11B1 P28845 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BTK Q06187 2/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PPID Q08752 1/20 0.33
PPIG Q13427 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL3758724 1.00 HRH4 (0.42) HRH4HRH3HCAR2JAK3ADRA1A
SCHEMBL3763724 0.89 HRH4 (0.53) HRH4HRH3HCAR2JAK3MEN1
SCHEMBL3763718 0.89 HRH4 (0.53) HRH4HRH3HCAR2JAK3MEN1
SCHEMBL3762900 0.85 HRH4 (0.44) HRH4HRH3JAK3ADRA1AHSD11B1
SCHEMBL3762897 0.85 HRH4 (0.44) HRH4HRH3JAK3ADRA1AHSD11B1
SCHEMBL3236722 0.83 HRH4 (0.45) HRH4HRH3JAK3ALDH1A1
SCHEMBL3766256 0.83 HRH4 (0.45) HRH4HRH3JAK3ALDH1A1
SCHEMBL3758797 0.81 HRH4 (0.49) HRH4HRH3JAK3MEN1KMT2A
SCHEMBL3758800 0.81 HRH4 (0.49) HRH4HRH3JAK3MEN1KMT2A
SCHEMBL3759303 0.79 HRH4 (0.38) HRH4HRH3JAK3

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-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US claimed
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 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-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885HCAR2 5/4885

“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.