SCHEMBL3390791

SCHEMBL3390791

CCOC(=O)Cc1ccc(OC)c(-c2ncc(C)cc2CN(CC)C(=O)CCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
PTGDR2 Q9Y5Y4 17/20 0.46
PTGDR Q13258 3/20 0.43
TBXA2R P21731 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
PTGIR P43119 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3391491 0.93 PTGDR2 (0.51) APPPTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL9982543 0.88 PTGDR2 (0.56) APPPTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL137270 0.87 PTGDR2 (0.55) APPPTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3387103 0.84 PTGDR2 (0.56) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL3390392 0.84 PTGDR2 (0.44) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL134776 0.82 PTGDR2 (0.62) APPPTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL151571 0.81 PTGDR2 (0.67) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL137784 0.80 PTGDR2 (0.58) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL9982753 0.80 PTGDR2 (0.65) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL136145 0.79 PTGDR2 (0.61) APPPTGDR2PTGDRTBXA2RCYP3A4

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-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 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-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 APP 4628/4885PTGDR2 2/4885PTGDR 1/4885

“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.