SCHEMBL3388903

SCHEMBL3388903

CCOC(=O)Cc1ccc(OC)c(-c2cc3ccccc3nc2CN(Cc2ccccc2)C(=O)C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.53
LPAR1 Q92633 3/20 0.46
LPAR5 Q9H1C0 3/20 0.46
PTGDR Q13258 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
TBXA2R P21731 1/20 0.39
LMNA P02545 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38

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
SCHEMBL3388885 0.94 PTGDR2 (0.58) PTGDR2LPAR1LPAR5PTGDRCYP3A4
SCHEMBL3386561 0.91 PTGDR2 (0.60) PTGDR2LPAR1LPAR5PTGDRCYP3A4
SCHEMBL20669557 0.89 PTGDR2 (0.53) PTGDR2LPAR1LPAR5PTGDRCYP3A4
SCHEMBL3389225 0.89 PTGDR2 (0.42) PTGDR2LPAR1PTGDRCYP3A4MEN1
SCHEMBL3391048 0.86 PTGDR2 (0.69) PTGDR2PTGDRCYP3A4MEN1KMT2A
SCHEMBL3389809 0.86 PTGDR2 (0.46) PTGDR2PTGDRCYP3A4KDM4EALDH1A1
SCHEMBL3386400 0.85 PTGDR2 (0.44) PTGDR2LPAR1PTGDRCYP3A4MEN1
SCHEMBL3384276 0.82 PTGDR2 (0.43) PTGDR2PTGDRCYP3A4KDM4EALDH1A1
SCHEMBL3386649 0.81 PTGDR2 (0.59) PTGDR2PTGDRCYP3A4MEN1KMT2A
SCHEMBL3422370 0.80 PTGDR2 (0.44) PTGDR2PTGDRCYP3A4TBXA2R

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-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 (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 PTGDR2 2/4885LPAR1 86/4885LPAR5 64/4885

“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.