SCHEMBL5909604

SCHEMBL5909604

CCOC(=O)C(C#N)=C1CCC(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 6/20 0.48
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 4/20 0.42
MAPK1 P28482 3/20 0.42
ALOX15 P16050 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 4/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL5909599 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL5909621 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL5909602 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL6374894 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL6374900 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL6374885 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL6376449 0.85 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL6376451 0.85 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL13181748 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL8203068 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237847-B1 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2006-05-17 EP claimed
US-6864390-B2 Method for the stereoselective synthesis of cyclic amino acids WARNER-LAMBERT COMPANY (US) 2005-03-08 US claimed
US-20030069438-A1 Method for the stereoselective synthesis of cyclic amino acids BRYANS JUSTIN STEPHEN (GB) 2003-04-10 US claimed
EP-1237847-A1 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CYCLIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2002-09-11 EP claimed
WO-2001042190-A1 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CYCLIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2001-06-14 WO claimed
EP-1237847-B1 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2006-05-17 EP disclosed
US-20060084825-A1 Novel method for the stereoselective synthesis of cyclic amino acids WARNER-LAMBERT COMPANY (US) 2006-04-20 US disclosed
US-6864390-B2 Method for the stereoselective synthesis of cyclic amino acids WARNER-LAMBERT COMPANY (US) 2005-03-08 US disclosed
US-20030069438-A1 Method for the stereoselective synthesis of cyclic amino acids BRYANS JUSTIN STEPHEN (GB) 2003-04-10 US disclosed
EP-1237847-A1 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CYCLIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2002-09-11 EP disclosed
WO-2001042190-A1 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CYCLIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2001-06-14 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-20030069438-A1 Method for the stereoselective synthesis of cyclic amino acids NPSR1, NTSR1, GAP43 ALDH1A1 1702/4885SMN1; SMN2 750/4885MAPT 673/4885
US-20060084825-A1 Novel method for the stereoselective synthesis of cyclic amino acids NPSR1, GAP43, NCSTN ALDH1A1 2117/4885SMN1; SMN2 815/4885MAPT 569/4885

“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.