SCHEMBL4773909

SCHEMBL4773909

CC(C)(C)CN1CCC(Oc2cccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
MAPK14 Q16539 3/20 0.56
SLC5A7 Q9GZV3 1/20 0.52
MMP13 P45452 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CHRM4 P08173 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
FFAR1 O14842 1/20 0.50
MAOA P21397 1/20 0.49

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
SCHEMBL4933009 0.90 SLC5A7 (0.57) MAPK14SLC5A7MMP13MEN1KMT2A
SCHEMBL4666181 0.89 OPRK1 (0.61) MAPK14SLC5A7MMP13MEN1KMT2A
SCHEMBL4932164 0.88 SLC5A7 (0.68) MAPK14SLC5A7MMP13MEN1KMT2A
SCHEMBL4930039 0.88 MAPK14 (0.58) MAPK14SLC5A7MMP13MEN1KMT2A
SCHEMBL4778289 0.86 MAPK14 (0.55) MAPK14SLC5A7MMP13MEN1KMT2A
SCHEMBL4795082 0.85 MAPK14 (0.57) MAPK14SLC5A7MMP13HPGDFFAR1
SCHEMBL4664685 0.81 MAPK14 (0.60) MAPK14MMP13HPGDFFAR1MAOA
SCHEMBL4933296 0.81 SLC5A7 (0.60) POLBMAPK14SLC5A7MMP13MEN1
SCHEMBL4934168 0.80 MAPK14 (0.56) MAPK14MMP13HPGDFFAR1MAOA
SCHEMBL4934170 0.80 MAPK14 (0.56) MAPK14MMP13HPGDFFAR1MAOA

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-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US claimed
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
EP-1891065-A1 NOVEL MCHR1 ANTAGONISTS AND THEIR USE FOR THE TREATMENT OF MCHR1 MEDIATED CONDITIONS AND DISORDERS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006130075-A1 NOVEL MCHR1 ANTAGONISTS AND THEIR USE FOR THE TREATMENT OF MCHR1 MEDIATED CONDITIONS AND DISORDERS ASTRAZENECA AB (SE) 2006-12-07 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-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders MCHR1, MCHR2, HCRTR1 POLB 4498/4885MAPK14 2430/4885SLC5A7 854/4885

“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.