SCHEMBL1083604

SCHEMBL1083604

COC(=O)Cc1cccc(Oc2ccc(Br)cc2CN[C@H]2CCc3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM1B Q8NB78 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.38
GFRA2 O00451 1/20 0.37
GFRA3 O60609 1/20 0.37
XIAP P98170 1/20 0.37
CTSD P07339 2/20 0.37

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
SCHEMBL1083605 1.00 KDM4E (0.44) KDM4EKMT2AKDM1AMAOAMAOB
SCHEMBL1944772 0.87 KDM4E (0.43) KDM4EKMT2AHCRTR1HCRTR2PDE4A
SCHEMBL1943687 0.87 KDM4E (0.43) KDM4EKMT2AHCRTR1HCRTR2PDE4A
SCHEMBL1943691 0.87 KDM4E (0.43) KDM4EKMT2AHCRTR1HCRTR2PDE4A
SCHEMBL1644213 0.84 MMP9 (0.44) KDM4EKMT2AKDM1AMAOAMAOB
SCHEMBL1643198 0.84 MMP9 (0.44) KDM4EKMT2AKDM1AMAOAMAOB
SCHEMBL1943183 0.79 P2RX3 (0.42) KDM4EKMT2AMEN1GFRA2GFRA3
SCHEMBL1943185 0.79 P2RX3 (0.42) KDM4EKMT2AMEN1GFRA2GFRA3
SCHEMBL1009732 0.79 GFRA2 (0.39) HCRTR1HCRTR2GFRA2GFRA3CTSD
SCHEMBL1061939 0.79 MEN1 (0.53) KDM4EKMT2AMEN1PKMALDH1A1

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 9 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 disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
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
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 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
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 KDM4E 4753/4885KMT2A 4384/4885KDM1A 4790/4885

“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.