SCHEMBL4356547

SCHEMBL4356547

O=C(O)N1CCC(n2ncc3c(Oc4ccc5sccc5c4)ncnc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
GPBAR1 Q8TDU6 1/20 0.38
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
FLT3 P36888 5/20 0.35
BRAF P15056 2/20 0.34
SRC P12931 2/20 0.34
KDR P35968 3/20 0.33
AURKA O14965 1/20 0.33
MET P08581 1/20 0.33
TEK Q02763 1/20 0.33
AURKB Q96GD4 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 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
SCHEMBL1129081 0.88 CYP3A4 (0.68) CYP3A4CYP2C9SRCAURKBNR3C1
SCHEMBL4362549 0.82 CYP3A4 (0.51) CYP3A4GPBAR1KDRABL1
SCHEMBL1128417 0.82 CYP3A4 (0.60) CYP3A4CYP2C9ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4354583 0.81 CYP3A4 (0.60) CYP3A4CYP2C9SMN1; SMN2FLT3BRAF
SCHEMBL4352334 0.81 CYP3A4 (0.62) CYP3A4CYP2C9ALDH1A1FLT3SRC
SCHEMBL4360880 0.80 CYP3A4 (0.53) CYP3A4CYP2C9ALDH1A1TSHRSMN1; SMN2
SCHEMBL4359112 0.80 CYP3A4 (0.55) CYP3A4CYP2C9ALDH1A1TSHRHTT
SCHEMBL4350405 0.80 CYP3A4 (0.52) CYP3A4CYP2C9FLT3ABL1BTK
SCHEMBL4362277 0.80 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL4360972 0.80 CYP3A4 (0.60) CYP3A4CYP2C9ALDH1A1TSHRHTT

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 CYP3A4 1503/4885GPBAR1 18/4885CYP2C9 917/4885

“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.