SCHEMBL324346

SCHEMBL324346

Cc1ccc(COC(=O)N2C=Cc3ccccc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.47
GRIN2B Q13224 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
RECQL P46063 1/20 0.38
NPY2R P49146 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP2 P08253 2/20 0.38

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 0.91 P2RX4 (0.52) P2RX4L3MBTL1NPC1RAB9ANPSR1
SCHEMBL324667 0.89 P2RX4 (0.48) P2RX4GRIN2BNPC1RAB9ASMN1; SMN2
SCHEMBL324380 0.89 P2RX4 (0.42) P2RX4GRIN2BL3MBTL1NPC1RAB9A
SCHEMBL324120 0.89 P2RX4 (0.46) P2RX4L3MBTL1NPC1RAB9ANPSR1
SCHEMBL324589 0.88 GRIN2B (0.41) P2RX4GRIN2BL3MBTL1NPC1RAB9A
SCHEMBL15056964 0.86 HDAC3 (0.41) GRIN2BL3MBTL1RAB9ANPSR1MEN1
SCHEMBL29493251 0.86 HDAC3 (0.41) GRIN2BL3MBTL1RAB9ANPSR1MEN1
SCHEMBL324069 0.85 MMP12 (0.40) P2RX4L3MBTL1NPC1RAB9AMMP12
SCHEMBL324992 0.84 NPSR1 (0.37) P2RX4GRIN2BL3MBTL1NPC1RAB9A
SCHEMBL323497 0.84 HSD17B3 (0.37) P2RX4NPSR1MEN1LMNAKMT2A

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 P2RX4 88/4885GRIN2B 1330/4885L3MBTL1 4628/4885

“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.