SCHEMBL4666647

SCHEMBL4666647

CN1CCC(Oc2cccc(CNC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 2/20 0.54
ROCK2 O75116 5/20 0.53
ROCK1 Q13464 5/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
PRKACA P17612 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCQ Q04759 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4664201 0.93 MMP13 (0.55) SLC5A7ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL4666174 0.92 ROCK2 (0.59) SLC5A7ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL4772536 0.92 SLC5A7 (0.51) SLC5A7ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL4666649 0.92 SLC5A7 (0.54) SLC5A7ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL4934208 0.92 SLC5A7 (0.54) SLC5A7MEN1KMT2ANPC1TDP1
SCHEMBL4930039 0.92 MAPK14 (0.58) SLC5A7CYP3A4MEN1KMT2ATDP1
SCHEMBL4878514 0.91 SLC5A7 (0.49) SLC5A7ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL14026989 0.89 ROCK2 (0.51) SLC5A7ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL4666224 0.89 ALDH1A1 (0.53) SLC5A7ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL4933614 0.89 LMNA (0.53) SLC5A7MEN1KMT2ATDP1HSD17B10

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 SLC5A7 854/4885ROCK2 1477/4885ROCK1 977/4885

“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.