SCHEMBL3303468

SCHEMBL3303468

COC(=O)COC1CCC(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
DGAT1 O75907 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.41
SLC18A3 Q16572 1/20 0.41
PGR P06401 1/20 0.41
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL3303472 1.00 PTGS2 (0.47) PTGS2DGAT1ADORA3ALDH1A1POLB
SCHEMBL1399597 0.81 HCRTR2 (0.38) DGAT1ALDH1A1MAPT
SCHEMBL14113476 0.81 HCRTR2 (0.38) DGAT1ALDH1A1MAPT
SCHEMBL1399596 0.81 HCRTR2 (0.38) DGAT1ALDH1A1MAPT
SCHEMBL27731989 0.79 DGAT1 (0.47) DGAT1ADORA3ALDH1A1POLBMAPT
SCHEMBL1399671 0.77 ALDH1A1 (0.41) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1399672 0.77 ALDH1A1 (0.41) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL4619399 0.77 SLC18A3 (0.46) DGAT1ALDH1A1POLBMAPTSLC18A3
SCHEMBL3543093 0.77 MAPT (0.63) ALDH1A1POLBMAPTSLC18A3SLC6A3
SCHEMBL3543089 0.77 MAPT (0.63) ALDH1A1POLBMAPTSLC18A3SLC6A3

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
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 US disclosed
EP-2120911-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES Prosidion Limited (GB) 2009-11-25 EP disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 WO 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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 PTGS2 1549/4885DGAT1 84/4885ADORA3 2274/4885

“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.