SCHEMBL3386561

SCHEMBL3386561

COc1ccc(CC(=O)O)cc1-c1cc2ccccc2nc1CN(Cc1ccccc1)C(=O)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.60
LPAR1 Q92633 3/20 0.47
LPAR5 Q9H1C0 2/20 0.47
PTGDR Q13258 2/20 0.47
TBXA2R P21731 1/20 0.47
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LPAR2 Q9HBW0 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL20669557 0.93 PTGDR2 (0.53) PTGDR2LPAR1LPAR5PTGDRTBXA2R
SCHEMBL3391048 0.93 PTGDR2 (0.69) PTGDR2PTGDRTBXA2RMEN1KMT2A
SCHEMBL3388903 0.91 PTGDR2 (0.53) PTGDR2LPAR1LPAR5PTGDRTBXA2R
SCHEMBL3391029 0.88 PTGDR2 (0.50) PTGDR2LPAR1PTGDRTBXA2RMEN1
SCHEMBL3388885 0.84 PTGDR2 (0.58) PTGDR2LPAR1LPAR5PTGDRTBXA2R
SCHEMBL3391126 0.84 PTGDR2 (0.55) PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3389949 0.80 PTGDR2 (0.52) PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3388168 0.80 PTGDR2 (0.71) PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3389192 0.79 PTGDR2 (0.65) PTGDR2PTGDRTBXA2RCYP3A4
SCHEMBL3389225 0.79 PTGDR2 (0.42) PTGDR2LPAR1PTGDRTBXA2RMEN1

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 13 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 claimed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US claimed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 WO claimed
WO-2020148325-A1 NEUTRAL LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-07-23 WO disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
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-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
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 (2 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 PTGDR2 2/4885LPAR1 86/4885LPAR5 64/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 PTGDR2 661/4885LPAR1 137/4885LPAR5 222/4885

“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.