SCHEMBL14633751

SCHEMBL14633751

CCOC(=O)C1CCN(N2CN=CC([N+](=O)[O-])=C2Oc2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.45
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
CTSB P07858 1/20 0.37
MMP1 P03956 1/20 0.36
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL389332 0.75 GPR119 (0.59) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL390386 0.75 GPR119 (0.51) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL390186 0.74 GPR119 (0.76) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL14633752 0.73 MAPT (0.43) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL5070687 0.68 GPR119 (0.51) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL5070681 0.68 CTSB (0.44) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL4706918 0.65 CYP1A2 (0.41) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL5267022 0.65 GPR119 (0.47) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL5262162 0.64 GPR119 (0.61) GPR119MAPTKMT2ACYP1A2CYP2D6
SCHEMBL389236 0.64 MAPT (0.53) GPR119MAPTKMT2AALDH1A1TP53

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-8933083-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) 2015-01-13 US disclosed
US-20130023527-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, INC. (US) 2013-01-24 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-20130023527-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 CYP7A1, GPR119, UGT1A1 GPR119 2/4885MAPT 4612/4885KMT2A 1969/4885

“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.