SCHEMBL1010000

SCHEMBL1010000

COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CNCCC(=O)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.64
PTGDR2 Q9Y5Y4 9/20 0.44
NPSR1 Q6W5P4 3/20 0.39
PTGDR Q13258 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 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
SCHEMBL1943649 0.90 CYP3A4 (0.52) CYP3A4PTGDR2NPSR1L3MBTL1LMNA
SCHEMBL1008874 0.86 PTGDR2 (0.53) CYP3A4PTGDR2PTGDRNR1H4GAA
SCHEMBL1009997 0.81 CYP3A4 (0.64) CYP3A4PTGDR2PTGDR
SCHEMBL13521854 0.79 CYP3A4 (0.74) CYP3A4PTGDR2NPSR1L3MBTL1LMNA
Am-461 SCHEMBL349848 0.78 CYP3A4 (1.00) CYP3A4PTGDR2NPSR1L3MBTL1SMN1; SMN2
Am-461 SCHEMBL29567409 0.78 CYP3A4 (1.00) CYP3A4PTGDR2NPSR1L3MBTL1SMN1; SMN2
SCHEMBL348737 0.78 CYP3A4 (0.72) CYP3A4PTGDR2NPSR1PTGDRL3MBTL1
Am-461 SCHEMBL14715972 0.78 CYP3A4 (0.98) CYP3A4PTGDR2NPSR1L3MBTL1SMN1; SMN2
Am-461 SCHEMBL14715969 0.78 CYP3A4 (0.98) CYP3A4PTGDR2NPSR1L3MBTL1SMN1; SMN2
SCHEMBL1944128 0.77 PTGDR2 (0.45) CYP3A4PTGDR2L3MBTL1LMNASMN1; SMN2

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-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US claimed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US claimed
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP claimed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO claimed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1269/4885PTGDR2 2/4885NPSR1 282/4885

“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.