SCHEMBL5213808

SCHEMBL5213808

COC(=O)C1CN=C(Cc2c(Cl)cccc2Cl)N1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
KMT2A Q03164 3/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CYP3A4 P08684 3/20 0.35
MEN1 O00255 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NR4A2 P43354 1/20 0.34
ATM Q13315 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
SCHEMBL3989342 0.76 KMT2A (0.40) KMT2A
SCHEMBL5067966 0.74 KMT2A (0.37) KMT2A
SCHEMBL5217138 0.67 CDK5 (0.37) CDK5CDK5R1KMT2ACCNA2CDK2
SCHEMBL5568857 0.66 PDE5A (0.43) KMT2AMEN1
SCHEMBL18474093 0.64 ALDH1A1 (0.43) KMT2ACYP3A4MEN1SMN1; SMN2
SCHEMBL12660848 0.62 KMT2A (0.37) KMT2A
SCHEMBL3986486 0.62 ALDH1A1 (0.33) KMT2AMEN1
SCHEMBL25415184 0.61 ALDH1A1 (0.44) KMT2AMEN1
SCHEMBL32677140 0.61 KDM4E (0.52) KMT2AMEN1
SCHEMBL32677136 0.61 KDM4E (0.52) KMT2AMEN1

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 8 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
EP-1603905-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-12-14 EP disclosed
WO-2004072068-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-08-26 WO 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 TAAR1 428/4885CDK5 2000/4885CDK5R1 1901/4885

“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.