SCHEMBL2772218

SCHEMBL2772218

CCOC(=O)CCc1ccc(C#N)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
ACACB O00763 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
MEN1 O00255 1/20 0.40
BRCA1 P38398 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MBOAT4 Q96T53 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL3938935 0.92 CYSLTR2 (0.42) FFAR1ACACBCYP4F2CYP4A11MEN1
SCHEMBL25011089 0.86 FFAR1 (0.45) FFAR1ACACBCYP4F2CYP4A11L3MBTL1
SCHEMBL30223707 0.86 FFAR1 (0.45) FFAR1ACACBCYP4F2CYP4A11L3MBTL1
SCHEMBL28950415 0.86 KDM4E (0.42) ACACBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL25011091 0.83 FFAR1 (0.48) FFAR1ACACBCYP4F2CYP4A11L3MBTL1
SCHEMBL16283828 0.81 CYP4F2 (0.49) CYP4F2CYP4A11L3MBTL1CYSLTR2CYSLTR1
SCHEMBL2958789 0.80 KMT2A (0.50) MEN1BRCA1KMT2AL3MBTL1MAPT
SCHEMBL2080801 0.80 CYP4F2 (0.47) CYP4F2CYP4A11KMT2AL3MBTL1CYSLTR2
SCHEMBL2770972 0.80 CYP4F2 (0.42) CYP4F2CYP4A11MAPTALDH1A1KDM4E
SCHEMBL2884150 0.79 FFAR1 (0.68) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910357-B1 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LTD (GB) 2010-04-14 EP disclosed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
CN-101605544-A CRTH2 antagonists ARGENTA INV CO LTD (GB) 2009-12-16 CN disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed
CN-101243086-A Indolizine derivatives and their use as CRTH2 antagonists ARGENTA DISCOVERY LTD (GB) 2008-08-13 CN disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO disclosed
EP-1910357-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-04-16 EP disclosed
WO-2006136859-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 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 (2 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-20090163534-A1 Indolizine Derivatives HRH4, HRH2, NR1H2 FFAR1 138/4885ACACB 4316/4885CYP4F2 822/4885
US-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 FFAR1 57/4885ACACB 308/4885CYP4F2 2946/4885

“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.