SCHEMBL5356052

SCHEMBL5356052

CCOC(=O)C(C)=NNc1cc(Cl)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 7/20 0.49
GAA P10253 6/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.46
ABCB1 P08183 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
KYAT1 Q16773 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL5356050 1.00 KMT2A (0.52) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL5356932 0.89 MAPT (0.47) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL5356936 0.89 MAPT (0.47) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL2454161 0.85 KMT2A (0.50) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL2454162 0.85 KMT2A (0.50) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL14139923 0.85 ABCB1 (0.52) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL4404099 0.85 ABCB1 (0.52) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL30396358 0.84 ABCB1 (0.45) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL28338764 0.82 MAPT (0.51) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL22620686 0.81 MAPT (0.55) KMT2AMEN1KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253281-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 US disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 US disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (4 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR KMT2A 1434/4885MEN1 646/4885KDM4E 739/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 KMT2A 2365/4885MEN1 901/4885KDM4E 1176/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR KMT2A 1434/4885MEN1 646/4885KDM4E 739/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A KMT2A 1282/4885MEN1 1329/4885KDM4E 657/4885

“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.