SCHEMBL4881726

SCHEMBL4881726

CC(N1CCC(N)CC1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 3/20 0.34
FDPS P14324 3/20 0.33
LAP3 P28838 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL4413973 0.76 FDPS (0.56) MMP8MMP1MMP2FDPSLAP3
SCHEMBL6438981 0.74 FDPS (0.38) MMP8MMP1MMP2FDPSLAP3
SCHEMBL4103874 0.72 GNAI3 (0.32) GNAI3GNAO1GNAI1
SCHEMBL7450835 0.71 FDPS (0.35) FDPSLAP3
SCHEMBL27567759 0.71 GNAI3 (0.36) MMP8MMP1MMP2GNAI3GNAO1
SCHEMBL222544 0.71 CHRNA7 (0.34) GNAI3GNAO1GNAI1
SCHEMBL11331122 0.69 ANPEP (0.43) MMP8MMP1FDPS
SCHEMBL6419834 0.69 ITGB3 (0.36) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL1456033 0.69 GNAI3 (0.38) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL222616 0.69 GNAI3 (0.38) GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE MMP8 3983/4885MMP1 4600/4885MMP2 4530/4885

“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.