SCHEMBL4358053

SCHEMBL4358053

CC(=O)N1CCN(c2ccc(Oc3ncnc4c3cnn4C3CCNCC3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
NCOA1 Q15788 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
CYP3A4 P08684 2/20 0.54
CCNC P24863 3/20 0.46
CDK8 P49336 3/20 0.46
USP2 O75604 1/20 0.43
FLT3 P36888 2/20 0.43
ALK Q9UM73 6/20 0.41
LMNA P02545 1/20 0.39
ACVR1 Q04771 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37

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
SCHEMBL1128500 0.87 CYP3A4 (0.72) TSHRSMN1; SMN2ALDH1A1HTTNCOA1
SCHEMBL4358055 0.79 CYP3A4 (0.48) CYP3A4FLT3TP53POLB
SCHEMBL2015475 0.79 CYP3A4 (0.76) CYP3A4MAPT
SCHEMBL9006352 0.79 CYP3A4 (0.79) CYP3A4
SCHEMBL1128588 0.78 CYP3A4 (0.70) CYP3A4FLT3
SCHEMBL4355586 0.76 CYP3A4 (0.46) SMN1; SMN2ALDH1A1CYP3A4FLT3LMNA
SCHEMBL4358365 0.76 ABL1 (0.57) CYP3A4FLT3
SCHEMBL4354679 0.76 CYP3A4 (0.57) SMN1; SMN2ALDH1A1HTTCYP3A4FLT3
Trifluoroacetic Acid SCHEMBL1128524 0.76 CYP3A4 (0.68) CYP3A4FLT3
SCHEMBL4360972 0.75 CYP3A4 (0.60) TSHRSMN1; SMN2ALDH1A1HTTNCOA1

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-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 TSHR 318/4885SMN1; SMN2 2213/4885ALDH1A1 973/4885

“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.