SCHEMBL2220133

SCHEMBL2220133

COC(=O)C1CCNC(C)=N1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
KCNMA1 Q12791 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM3 P20309 1/20 0.30
TSHR P16473 1/20 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
SCHEMBL3601324 0.81 CHRNB2 (0.36) KDM4ECHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9678381 0.81 LMNA (0.31) KDM4ECHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17623531 0.79 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16177930 0.78
SCHEMBL16177928 0.78
SCHEMBL475660 0.72 CYP1A2 (0.33) KDM4ECYP1A2HIF1A
SCHEMBL14649971 0.72 CYP1A2 (0.33) KDM4ECYP1A2HIF1A
SCHEMBL475658 0.72 CYP1A2 (0.33) KDM4ECYP1A2HIF1A
SCHEMBL24664101 0.68 CYP1A2 (0.33) KDM4ECYP1A2HIF1A
SCHEMBL19386329 0.68 CYP1A2 (0.33) CYP1A2HIF1A

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-8598346-B2 Synthesis of cyclic amidines BITOP AG (DE) 2013-12-03 US disclosed
US-20110178292-A1 SYNTHESIS OF CYCLIC AMIDINES BITOP AG (DE) 2011-07-21 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-20110178292-A1 SYNTHESIS OF CYCLIC AMIDINES ODC1, PAM, COASY KDM4E 3917/4885KCNMA1 3891/4885CHRNB2 3017/4885

“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.