SCHEMBL6041132

SCHEMBL6041132

CCOC1CCN(c2ncnc(Oc3ccc(F)cc3F)c2[N+](=O)[O-])C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 10/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
HSPB1 P04792 3/20 0.38
TRPA1 O75762 4/20 0.37
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL5264179 0.78 GPR119 (0.54) MAPTSMN1; SMN2GPR119HTT
SCHEMBL27652159 0.77 GPR119 (0.64) MAPTSMN1; SMN2GPR119NPC1HTT
SCHEMBL1673899 0.77 GPR119 (0.48) MAPTSMN1; SMN2GPR119HSPB1TRPA1
SCHEMBL1673883 0.76 GPR119 (0.49) MAPTSMN1; SMN2GPR119HSPB1TRPA1
SCHEMBL1673604 0.75 GPR119 (0.69) MAPTGPR119NPC1
SCHEMBL27631974 0.71 GPR119 (0.61) GPR119
SCHEMBL5262369 0.71 GPR119 (0.60) MAPTSMN1; SMN2GPR119
SCHEMBL5264849 0.71 GPR119 (0.52) MAPTSMN1; SMN2GPR119
SCHEMBL1673743 0.70 GPR119 (0.59) MAPTGPR119
SCHEMBL390087 0.69 GPR119 (0.50) MAPTSMN1; SMN2GPR119HSPB1HTR1A

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-8293751-B2 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, INC. (US) 2012-10-23 US disclosed
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 MAPT 4467/4885SMN1; SMN2 4827/4885GPR119 2/4885

“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.