SCHEMBL4639742

SCHEMBL4639742

CCCCCN1C(=O)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.55
FAAH O00519 4/20 0.55
PTGS1 P23219 3/20 0.54
PTGS2 P35354 3/20 0.54
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 2/20 0.46
CYP19A1 P11511 3/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 3/20 0.41
CES1 P23141 2/20 0.41

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
SCHEMBL5014433 0.91 MAPT (0.51) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL4578069 0.89 MAPT (0.54) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8121430 0.89 MAPT (0.54) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL5450752 0.89 MAPT (0.54) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL12101788 0.89 MAPT (0.50) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL4580230 0.89 MAPT (0.54) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8115352 0.89 MAPT (0.54) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8652814 0.87 MGLL (0.47) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL371216 0.86 MGLL (0.70) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL5570285 0.86 MGLL (0.50) MGLLFAAHPTGS1PTGS2ALDH1A1

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
CN-101180269-A Process for preparing 3-cyano-quinolines and intermediates prepared therefrom WYETH CORP (US) 2008-05-14 CN disclosed
EP-1883621-A2 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY Wyeth (US) 2008-02-06 EP disclosed
WO-2006127205-A3 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY WYETH CORP (US) 2007-05-10 WO disclosed
US-20060270669-A1 Method of preparing 3-cyano-quinolines and intermediates made thereby WYETH 2006-11-30 US disclosed
WO-2006127205-A2 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY WYETH (US) 2006-11-30 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-20060270669-A1 Method of preparing 3-cyano-quinolines and intermediates made thereby CNP, PPP4C, PTMS MGLL 2716/4885FAAH 3136/4885PTGS1 3619/4885

“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.