SCHEMBL3366611

SCHEMBL3366611

CCOC(=O)Cc1ccnc(-c2ccc(C(F)(F)F)cc2C(CC)NC(=O)NCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.42
FPR2 P25090 2/20 0.40
TACR1 P25103 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
NAMPT P43490 1/20 0.36
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 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
SCHEMBL3368281 0.91 PTGDR2 (0.43) FPR2TACR1PTGDR2LMNANAMPT
SCHEMBL3367898 0.86 PPID (0.42) PPIDFPR2TACR1KDM4ENPSR1
SCHEMBL3365393 0.86 PPID (0.42) PPIDFPR2KDM4ENPSR1PTGDR2
SCHEMBL135843 0.85 PPID (0.43) PPIDKDM4ENPSR1PTGDR2LMNA
SCHEMBL137545 0.84 PTGDR2 (0.46) PPIDPTGDR2PPARG
SCHEMBL136731 0.84 PTGDR2 (0.53) PPIDPTGDR2PPARG
SCHEMBL1922624 0.84 PPID (0.40) PPIDFPR2KDM4ENPSR1PTGDR2
SCHEMBL153221 0.81 PTGDR2 (0.45) PPIDFPR2PTGDR2NAMPTEPHX2
SCHEMBL154552 0.79 PTGDR2 (0.51) PPIDPTGDR2LMNAPPARG
SCHEMBL155847 0.79 NAMPT (0.48) NPSR1PTGDR2ALDH1A1NAMPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PPID 540/4885FPR2 144/4885TACR1 450/4885

“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.