SCHEMBL4769060

SCHEMBL4769060

Cc1c([N+](=O)[O-])c(=O)n(C2CCC2)c(=O)n1C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.42
SLC6A2 P23975 5/20 0.39
ALDH1A1 P00352 3/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
OPRM1 P35372 1/20 0.35
SLC6A4 P31645 1/20 0.35
GNRHR P30968 2/20 0.35
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CRHBP P24387 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
SCHEMBL4762644 0.81 DCTPP1 (0.49) DCTPP1ALDH1A1GNRHRNPSR1KDM4E
SCHEMBL4867651 0.81 CREBBP (0.37) DCTPP1SLC6A2OPRM1
SCHEMBL4864147 0.79 HSP90AA1 (0.41) DCTPP1SLC6A2ALDH1A1OPRM1NPSR1
SCHEMBL4771511 0.77 MAPT (0.35) DCTPP1SLC6A2ALDH1A1MEN1LMNA
SCHEMBL4771502 0.77 MAPT (0.35) DCTPP1SLC6A2ALDH1A1MEN1LMNA
SCHEMBL4770673 0.76 MAPK1 (0.34) ALDH1A1GAAALOX15NPSR1KDM4E
SCHEMBL4792628 0.75 NPC1 (0.35) DCTPP1SLC6A2ALDH1A1NPSR1MEN1
SCHEMBL4792631 0.75 NPC1 (0.35) DCTPP1SLC6A2ALDH1A1NPSR1MEN1
SCHEMBL4762494 0.74 DCTPP1 (0.47) DCTPP1ALDH1A1NPSR1KDM4EMEN1
SCHEMBL4771445 0.74 GNRHR (0.45) DCTPP1ALDH1A1OPRM1GNRHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 DCTPP1 3735/4885SLC6A2 2820/4885ALDH1A1 1178/4885

“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.