SCHEMBL4988261

SCHEMBL4988261

Nc1ncnc2c1CCN(C(=O)CC1CCCC1)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
DGAT1 O75907 7/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CHRM4 P08173 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
JAK3 P52333 2/20 0.37
HRH1 P35367 1/20 0.37
SLC6A15 Q9H2J7 1/20 0.37
FAAH O00519 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
BACE1 P56817 4/20 0.35
CTSD P07339 3/20 0.35

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
SCHEMBL4982529 0.88 ALDH1A1 (0.42) ADORA2AADORA1KDM4EALDH1A1FAAH
SCHEMBL4988444 0.81 KEAP1 (0.46) DGAT1ALDH1A1PTGDR2
SCHEMBL4984698 0.81 F12 (0.42)
SCHEMBL4985611 0.80 KEAP1 (0.48) DGAT1ALDH1A1PTGDR2
SCHEMBL4982842 0.78 MAP4K4 (0.40) DGAT1CHRM4
SCHEMBL4979872 0.78 ADORA2A (0.47) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL4985073 0.78 PTGDR2 (0.37) PTGDR2FAAH
SCHEMBL4980900 0.78 P2RX3 (0.39) ALDH1A1HRH1SLC6A15JAK2JAK1
SCHEMBL4988613 0.78 CGAS (0.40) ALDH1A1HSD17B10SLC6A15JAK1
SCHEMBL4982019 0.77 ADORA2A (0.46) ADORA2AADORA1KDM4EALDH1A1HSD17B10

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 ADORA2A 18/4885ADORA1 39/4885DGAT1 3962/4885

“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.