SCHEMBL2216065

SCHEMBL2216065

[CH]1CCCCCCCCOCCNC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1699103 0.76
SCHEMBL420289 0.76
Morpholine SCHEMBL22582364 0.75 MEN1 (0.69) MEN1KMT2AKDM4EGAACYP2C9
Morpholine SCHEMBL4121473 0.75 MEN1 (0.69) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL20680540 0.75 ALDH1A1 (0.53) ALDH1A1
SCHEMBL15561417 0.75 ALDH1A1 (0.53) ALDH1A1
SCHEMBL157167 0.73
Morpholine SCHEMBL11883179 0.73 MEN1 (0.65) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL5314604 0.73 MEN1 (0.75) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL9400799 0.73 MEN1 (0.75) MEN1KMT2AKDM4EGAACYP2C9

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-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 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-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 MEN1 2163/4885KMT2A 3235/4885KDM4E 3354/4885

“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.