SCHEMBL6007445

SCHEMBL6007445

O=CNCN1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
SIGMAR1 Q99720 5/20 0.33
CXCR4 P61073 2/20 0.33
RAD52 P43351 1/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL6005193 0.87
SCHEMBL2182415 0.78 HSD17B10 (0.48) SMN1; SMN2POLBHSD17B10ANPEPERAP2
SCHEMBL1259599 0.78
SCHEMBL1259917 0.78
SCHEMBL16260719 0.78 POLB (0.41) CHRM5CHRM3SMN1; SMN2POLBHSD17B10
SCHEMBL6005207 0.77 HSD17B10 (0.38) CHRM5CHRM3SMN1; SMN2POLBHSD17B10
SCHEMBL12712334 0.77 CHRM5 (0.39) CHRM5CHRM3POLBSIGMAR1CXCR4
SCHEMBL1259339 0.76 SMN1; SMN2 (0.40) CHRM5SMN1; SMN2POLBHSD17B10MEN1
SCHEMBL1306352 0.75 CXCR4 (0.46) CHRM5CHRM3SMN1; SMN2POLBHSD17B10
SCHEMBL9602892 0.73 GAA (0.33) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 CHRM5 1593/4885CHRM3 1276/4885SMN1; SMN2 4010/4885

“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.