SCHEMBL5217138

SCHEMBL5217138

COC(=O)C1COC(Cc2c(Cl)cccc2Cl)=N1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
KMT2A Q03164 3/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP3A4 P08684 5/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL18906111 0.76 MIF (0.31) LMNA
SCHEMBL18792409 0.74 MIF (0.31)
SCHEMBL18906107 0.73 MIF (0.33)
SCHEMBL14241222 0.73 MIF (0.31)
SCHEMBL1706120 0.72 PPARA (0.32) SMN1; SMN2
SCHEMBL4381351 0.71 CYP11B1 (0.35) CDK5CDK5R1
SCHEMBL4721823 0.70 PTGER1 (0.49)
SCHEMBL2028377 0.70 P2RX7 (0.44) CYP3A4
SCHEMBL11184058 0.70
SCHEMBL1705850 0.69 KDM4E (0.31) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 EP disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 EP disclosed
US-20040157845-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-12 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-20040157845-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CDK5 2000/4885CDK5R1 1901/4885KMT2A 3812/4885

“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.