SCHEMBL5267332

SCHEMBL5267332

O=C(O)N1CCC(Oc2ccnc(C(F)(F)F)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.45
ACACB O00763 3/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
LIPE Q05469 6/20 0.39
CYP2D6 P10635 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
EPHX2 P34913 3/20 0.39
CYP2C9 P11712 2/20 0.39
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
CYP2J2 P51589 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38

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
SCHEMBL5269826 0.85 GPR119 (0.52)
SCHEMBL30618519 0.83 SMN1; SMN2 (0.51) LOXL2CYP2D6CYP2C9
SCHEMBL26598309 0.83 SMN1; SMN2 (0.51) LOXL2CYP2D6CYP2C9
SCHEMBL8515150 0.82 EPHX2 (0.41) EPHX2CYP2C9CYP2J2CCNKCDK12
SCHEMBL6122144 0.80 LOXL2 (0.43) LOXL2LIPEEPHX2
SCHEMBL6122245 0.79 LOXL2 (0.42) LOXL2LIPE
SCHEMBL26730048 0.78 MALT1 (0.49) MALT1LOXL2CYP2D6DPP4DPP8
SCHEMBL6122636 0.78 LOXL2 (0.42) LOXL2LIPE
SCHEMBL6121558 0.77 LOXL2 (0.43) LOXL2LIPE
SCHEMBL6121965 0.77 LOXL2 (0.41) LOXL2LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347990-B1 Peptides having inhibiting activity to nitric oxyde production ASTELLAS PHARMA INC (JP) 2007-10-10 EP disclosed
US-7129243-B2 Peptide compounds ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040097425-A1 Peptide compounds ASTELLAS PHARMA INC. (JP) 2004-05-20 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-20040097425-A1 Peptide compounds VIP, NOS1, NOS3 MALT1 2286/4885ACACB 4253/4885LOXL2 3629/4885

“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.