SCHEMBL233240

SCHEMBL233240

CCOC(=O)Cc1c2c(c3ccccn13)CC(N)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
PTGDR Q13258 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.37
IDO1 P14902 1/20 0.37
HBB P68871 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL232954 0.89 CYP3A4 (0.47) CYP3A4CYP2C9PTGDRPTGDR2ALDH1A1
SCHEMBL233271 0.83 CYP3A4 (0.45) CYP3A4CYP2C9PTGDRPTGDR2ALDH1A1
SCHEMBL231764 0.80 ALDH1A1 (0.44) CYP3A4ALDH1A1KDM4EGLAGAA
SCHEMBL230873 0.78 PTGDR2 (0.54) CYP3A4CYP2C9PTGDRPTGDR2ALDH1A1
SCHEMBL233239 0.77 PTGDR2 (0.80) CYP3A4CYP2C9PTGDRPTGDR2
SCHEMBL13279600 0.71 CYP2C9 (0.46) CYP3A4CYP2C9PTGDRPTGDR2KDM4E
SCHEMBL27989288 0.71 KDM4E (0.59) PTGDRPTGDR2ALDH1A1KDM4EGLA
SCHEMBL7590610 0.70 KDM4E (0.53) CYP2C9PTGDRPTGDR2ALDH1A1KDM4E
SCHEMBL7586679 0.70 KDM4E (0.53) CYP2C9PTGDRPTGDR2ALDH1A1KDM4E
Bromide SCHEMBL2430564 0.70 KDM4E (0.58) PTGDRPTGDR2ALDH1A1KDM4EGLA

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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 914/4885CYP2C9 817/4885PTGDR 1/4885

“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.