SCHEMBL324049

SCHEMBL324049

N#Cc1cccc(COC(=O)N2C=Cc3ccccc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MGLL Q99685 1/20 0.38
GRM5 P41594 1/20 0.38
P2RX4 Q99571 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
GLMN Q92990 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
FAAH O00519 1/20 0.37
NAMPT P43490 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALKBH1 Q13686 1/20 0.36
KCNH2 Q12809 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL324299 0.84 P2RX4 (0.52) P2RX4
SCHEMBL323355 0.83 HCAR2 (0.43) P2RX4MAOAMAOBNAMPT
SCHEMBL324589 0.83 GRIN2B (0.41) P2RX4MAOB
SCHEMBL325206 0.83 HCAR2 (0.43) P2RX4MAOAMAOB
SCHEMBL323321 0.81 NPC1 (0.47) P2RX4MAOAMAOBNAMPTMRGPRX4
SCHEMBL323429 0.80 PRKCA (0.46) MAOBMRGPRX4
SCHEMBL324346 0.78 P2RX4 (0.47) P2RX4MAOBLMNA
SCHEMBL324380 0.77 P2RX4 (0.42) P2RX4LMNA
SCHEMBL324120 0.77 P2RX4 (0.46) P2RX4
SCHEMBL325711 0.76 P2RX4 (0.39) P2RX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 FFAR1 50/4885FFAR4 147/4885MGLL 1176/4885

“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.