SCHEMBL134651

SCHEMBL134651

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CN[C@@H]2c3ccccc3C[C@@H]2O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.45
MMP9 P14780 5/20 0.42
MMP2 P08253 4/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.40
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
MMP1 P03956 2/20 0.38
MMP8 P22894 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PDK2 Q15119 1/20 0.37
VIPR2 P41587 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
POLB P06746 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
SCHEMBL12931999 1.00 CD274 (0.45) CD274MMP9MMP2PTGDR2JAK2
SCHEMBL12932006 0.90 CD274 (0.40) CD274MMP9MMP2PTGDR2MMP1
SCHEMBL12932010 0.90 CD274 (0.40) CD274MMP9MMP2PTGDR2MMP1
SCHEMBL1054126 0.88 PTGDR2 (0.53) PTGDR2
SCHEMBL156476 0.88 PTGDR2 (0.53) PTGDR2
SCHEMBL136960 0.86 PRMT5 (0.44) PTGDR2JAK2JAK3ABL1RIN1
SCHEMBL134636 0.83 KDM4E (0.52) PTGDR2KDM4E
SCHEMBL134633 0.83 KDM4E (0.52) PTGDR2KDM4E
SCHEMBL13580790 0.83 CD274 (0.42) CD274MMP9MMP2ABL1RIN1
SCHEMBL136938 0.82 PTGDR2 (0.40) MMP9MMP2PTGDR2JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497381-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-07-30 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-01-27 US 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 (4 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CD274 3747/4885MMP9 3156/4885MMP2 3327/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CD274 3747/4885MMP9 3156/4885MMP2 3327/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CD274 3747/4885MMP9 3156/4885MMP2 3327/4885
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CD274 2667/4885MMP9 2492/4885MMP2 2594/4885

“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.