SCHEMBL230884

SCHEMBL230884

CCOC(=O)CCc1cc2ccccn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ABCB1 P08183 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2945627 0.76 NPC1 (0.41) L3MBTL1ALDH1A1MAPTHRH3MEN1
SCHEMBL16739572 0.74 ALDH1A1 (0.49) L3MBTL1HTTATMALDH1A1MAPT
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.74 TDP1 (0.75) CYP4F2CYP4A11TDP1ABCB1L3MBTL1
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.73 TDP1 (0.72) CYP4F2CYP4A11TDP1ABCB1L3MBTL1
SCHEMBL4425984 0.73 CYP4F2 (0.64) CYP4F2CYP4A11TDP1ABCB1ALDH1A1
SCHEMBL19220399 0.73 KDM4E (0.55) CYP4F2CYP4A11LMNATDP1L3MBTL1
SCHEMBL9858129 0.72 TDP1 (0.66) CYP4F2CYP4A11TDP1ABCB1L3MBTL1
SCHEMBL68902 0.72 CYP4F2 (0.85) CYP4F2CYP4A11LMNATDP1ABCB1
Ethyl 3-Phenylpropanoate SCHEMBL311047 0.70 TDP1 (0.68) CYP4F2CYP4A11TDP1ABCB1L3MBTL1
Ethyl 3-Phenylpropanoate SCHEMBL3322728 0.70 CYP4F2 (0.70) CYP4F2CYP4A11TDP1ABCB1L3MBTL1

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 5 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
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 CYP4F2 1123/4885CYP4A11 661/4885LMNA 2230/4885

“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.