SCHEMBL6041176

SCHEMBL6041176

CCOC(=O)C1CCN(c2ccnc(Oc3ccccc3C(=O)c3ccccc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
CTSB P07858 1/20 0.50
GPR119 Q8TDV5 8/20 0.49
TSHR P16473 1/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 1/20 0.44

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
SCHEMBL1673722 0.89 GPR119 (0.58) ALDH1A1MAPTCTSBGPR119HTT
SCHEMBL1673851 0.81 GPR119 (0.57) ALDH1A1MAPTCTSBGPR119HTT
SCHEMBL6041129 0.80 GPR119 (0.66) ALDH1A1MAPTCTSBGPR119HTT
SCHEMBL1673977 0.79 MAPT (0.52) ALDH1A1MAPTCTSBGPR119TSHR
SCHEMBL5261829 0.79 GPR119 (0.45) ALDH1A1MAPTCTSBGPR119TSHR
SCHEMBL1673701 0.77 GPR119 (0.58) ALDH1A1MAPTCTSBGPR119TSHR
SCHEMBL390558 0.77 GPR119 (0.65) ALDH1A1MAPTGPR119HTTMEN1
SCHEMBL1673807 0.77 GPR119 (0.44) GPR119SMN1; SMN2
SCHEMBL386411 0.77 GPR119 (0.77) ALDH1A1MAPTCTSBGPR119HTT
SCHEMBL1673779 0.76 GPR119 (0.78) ALDH1A1MAPTGPR119TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060217379-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia ARENA PHARMACEUTICALS 2006-09-28 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-20060217379-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia UGT1A1, GPR119, UGT1A3 ALDH1A1 169/4885MAPT 4467/4885CTSB 2937/4885

“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.