SCHEMBL3762900

SCHEMBL3762900

Nc1nc2c(c(N3C[C@H]4CCCN(C(=O)O)[C@H]4C3)n1)CCC(c1cccc(Cl)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ADRA1A P35348 1/20 0.36
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 3/20 0.33
ADAM17 P78536 1/20 0.33
AOC3 Q16853 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 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
SCHEMBL3762897 1.00 HRH4 (0.44) HRH4HRH3ADRA1ATSHRHPGD
SCHEMBL3763718 0.91 HRH4 (0.53) HRH4HRH3TSHRHSD17B10JAK3
SCHEMBL3763724 0.91 HRH4 (0.53) HRH4HRH3TSHRHSD17B10JAK3
SCHEMBL3758724 0.85 HRH4 (0.42) HRH4HRH3ADRA1AHSD11B1JAK3
SCHEMBL3758725 0.85 HRH4 (0.42) HRH4HRH3ADRA1AHSD11B1JAK3
SCHEMBL3766256 0.85 HRH4 (0.45) HRH4HRH3HPGDHSD17B10JAK3
SCHEMBL3236722 0.85 HRH4 (0.45) HRH4HRH3HPGDHSD17B10JAK3
SCHEMBL606758 0.80 HRH4 (0.54) HRH4HRH3ADRA1A
SCHEMBL3467739 0.80 HRH4 (0.54) HRH4HRH3ADRA1A
SCHEMBL3758797 0.79 HRH4 (0.49) HRH4HRH3JAK3KDM4E

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 3/4885ADRA1A 212/4885

“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.