SCHEMBL3367102

SCHEMBL3367102

CC1(C)OB(c2ccc(C(F)(F)F)cc2CN(C(=O)C2CC2)C2Cc3ccccc3C2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
PTGDR2 Q9Y5Y4 14/20 0.38
TACR1 P25103 1/20 0.35
LIPE Q05469 2/20 0.35
ROCK1 Q13464 1/20 0.34

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
SCHEMBL16501875 0.87 SLC6A2 (0.34) SLC6A4SLC6A2ROCK1
SCHEMBL1921901 0.82 PTGDR2 (0.47) PTGDR2
SCHEMBL152613 0.81 PTGDR2 (0.52) PTGDR2
SCHEMBL13428179 0.81 SLC6A4 (0.42) SLC6A4SLC6A2PTGDR2TACR1
SCHEMBL3398318 0.80 PTGDR2 (0.46) PTGDR2
SCHEMBL1922337 0.72 GPBAR1 (0.45) PTGDR2LIPE
SCHEMBL15031656 0.72 LIPE (0.37) LIPE
SCHEMBL153236 0.71 HDAC1 (0.41) PTGDR2LIPE
SCHEMBL17387585 0.71 PTGDR2 (0.40) PTGDR2
SCHEMBL154820 0.71 PTGDR2 (0.45) PTGDR2LIPE

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 SLC6A4 3440/4885SLC6A2 3187/4885PTGDR2 2/4885

“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.