SCHEMBL3763718

SCHEMBL3763718

Nc1nc2c(c(N3CC4CCCN(C(=O)O)C4C3)n1)CCC(c1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.53
HRH3 Q9Y5N1 2/20 0.53
JAK3 P52333 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
USP30 Q70CQ3 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DHFR P00374 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
SCHEMBL3763724 1.00 HRH4 (0.53) HRH4HRH3JAK3HSP90AA1HSP90AB1
SCHEMBL3236722 0.92 HRH4 (0.45) HRH4HRH3JAK3MAPK1HSD17B10
SCHEMBL3766256 0.92 HRH4 (0.45) HRH4HRH3JAK3MAPK1HSD17B10
SCHEMBL3762900 0.91 HRH4 (0.44) HRH4HRH3JAK3TSHRMAPK1
SCHEMBL3762897 0.91 HRH4 (0.44) HRH4HRH3JAK3TSHRMAPK1
SCHEMBL3758725 0.89 HRH4 (0.42) HRH4HRH3JAK3HSP90AA1HSP90AB1
SCHEMBL3758724 0.89 HRH4 (0.42) HRH4HRH3JAK3HSP90AA1HSP90AB1
SCHEMBL3758800 0.84 HRH4 (0.49) HRH4HRH3JAK3MEN1KMT2A
SCHEMBL3758797 0.84 HRH4 (0.49) HRH4HRH3JAK3MEN1KMT2A
SCHEMBL3759303 0.82 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 3/4885JAK3 2322/4885

“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.