SCHEMBL3304973

SCHEMBL3304973

O=C(CCCCCl)c1ncco1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.61
CES1 P23141 3/20 0.61
NCEH1 Q6PIU2 1/20 0.61
HDAC3 O15379 15/20 0.58
HDAC4 P56524 15/20 0.58
HDAC1 Q13547 15/20 0.58
HDAC7 Q8WUI4 15/20 0.58
HDAC2 Q92769 15/20 0.58
HDAC10 Q969S8 15/20 0.58
HDAC11 Q96DB2 15/20 0.58
HDAC8 Q9BY41 15/20 0.58
HDAC6 Q9UBN7 15/20 0.58
HDAC9 Q9UKV0 15/20 0.58
HDAC5 Q9UQL6 15/20 0.58

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
SCHEMBL6050407 0.89 CES1 (0.54) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL21645829 0.84 FAAH (0.64) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL7444620 0.84 FAAH (0.81) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL7371238 0.84 FAAH (0.68) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL21645499 0.83 FAAH (0.83) FAAHCES1NCEH1HDAC3HDAC4
Hydrochloric Acid SCHEMBL21645495 0.81 FAAH (0.81) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL7367753 0.79 FAAH (0.60) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL6808997 0.78 CES1 (0.54) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL6206827 0.76 CES1 (0.53) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL13764125 0.76 FAAH (1.00) FAAHCES1HDAC3HDAC4HDAC1

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-8236818-B2 Substituted imidazopyridine derivatives as melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-08-07 US disclosed
CN-101663301-B Substituted imidazopyridine derivatives as melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS CH 2012-06-06 CN disclosed
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-15 US disclosed
CN-101663301-A Imidazopyridine derivatives as the replacement of melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS CH 2010-03-03 CN disclosed
EP-2144907-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-01-20 EP disclosed
WO-2008116665-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-10-02 WO 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-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists MC4R, MC3R, MC5R FAAH 1488/4885CES1 4666/4885NCEH1 4569/4885

“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.