SCHEMBL3364482

SCHEMBL3364482

CCOC(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2CNCc2ccccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.40
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DHFR P00374 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL3367794 0.93 PTGDR2 (0.43) SORT1KCNH2GRIN2BPTGDR2CYP11B1
SCHEMBL16501934 0.89 KCNH2 (0.39) KCNH2GRIN2BALDH1A1SMN1; SMN2RAB9A
SCHEMBL3365535 0.87 CYP11B1 (0.39) GRIN2BPTGDR2ALDH1A1SMN1; SMN2CYP11B1
SCHEMBL1922223 0.87 CYP11B1 (0.41) KCNH2PTGDR2SMN1; SMN2CYP11B1CYP11B2
SCHEMBL13428115 0.85 GPBAR1 (0.45) PTGDR2ALDH1A1GPBAR1DHFR
SCHEMBL1922931 0.85 PTGDR2 (0.41) PTGDR2GPBAR1DHFR
SCHEMBL3367329 0.84 KCNQ3 (0.40) PTGDR2SMN1; SMN2CYP11B1CYP11B2DHFR
SCHEMBL3365641 0.83 PTGDR2 (0.47) SORT1PTGDR2CYP11B1CYP11B2KDM4E
SCHEMBL3366120 0.83 PTGDR2 (0.46) PTGDR2ALDH1A1GPBAR1CYP11B1CYP11B2
SCHEMBL3370238 0.82 PTGDR2 (0.46) PTGDR2

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 4 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
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
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 SORT1 4669/4885KCNH2 3073/4885GRIN2B 609/4885

“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.