SCHEMBL4885872

SCHEMBL4885872

CCC(=O)N[C@@H]1CCN(c2ccc(I)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CA12 O43570 12/20 0.44
CA1 P00915 12/20 0.44
CA2 P00918 12/20 0.44
CA4 P22748 12/20 0.44
CA7 P43166 12/20 0.44
CA9 Q16790 12/20 0.44
TRPV1 Q8NER1 3/20 0.42
KMT2A Q03164 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL4780968 0.85 CA12 (0.49) CA12CA1CA2CA4CA7
SCHEMBL14196277 0.84 PDE10A (0.48) CA12CA1CA2CA4CA7
SCHEMBL1779246 0.81 AKT1 (0.46) HRH4HRH3CA12CA1CA2
SCHEMBL14196275 0.81 SYK (0.53)
SCHEMBL29517976 0.81 SYK (0.53)
SCHEMBL22826263 0.81 SYK (0.53)
SCHEMBL4909397 0.79 CA12 (0.47) CA12CA1CA2CA4CA7
SCHEMBL22454875 0.74 MAP4K4 (0.60) CA1CA2KMT2A
SCHEMBL28667375 0.74 MAP4K4 (0.60) CA1CA2KMT2A
SCHEMBL29518215 0.74 MAP4K4 (0.60) CA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008041090-A1 MALANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONIST PYRIDINONES PFIZER LIMITED (GB) 2008-04-10 WO disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 US disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 US disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 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-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones MCHR1, MCHR2, MC1R HRH4 311/4885HRH3 326/4885MTNR1A 10/4885

“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.