SCHEMBL4664223

SCHEMBL4664223

CN1CCC(Oc2cccc(CNCc3ccc(Oc4ccccc4)cc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
BCHE P06276 1/20 0.45
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.42
OPRK1 P41145 1/20 0.42
ROCK1 Q13464 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
HDAC4 P56524 1/20 0.41
EP300 Q09472 1/20 0.41
MEF2D Q14814 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4770681 0.91 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2HTTHRH3
SCHEMBL4666227 0.87 DRD2 (0.47) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL4232566 0.86 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL4666177 0.85 SLC5A7 (0.46) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL4934783 0.84 SLC6A3 (0.56) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL4934782 0.84 SLC6A3 (0.56) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL4667823 0.84 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2HRH3OPRK1
SCHEMBL4930039 0.83 MAPK14 (0.58) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4227919 0.81 PRMT6 (0.50) SMN1; SMN2MEN1KMT2AHRH3CARM1
SCHEMBL4770428 0.81 MCHR1 (0.48) KDM4EALDH1A1HTTMEN1KMT2A

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-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
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 claimed
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 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 KDM4E 2600/4885ALDH1A1 1070/4885SMN1; SMN2 400/4885

“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.