SCHEMBL5351869

SCHEMBL5351869

CCOC(=O)c1cc2ccc(Cl)cc2n1C(C)C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.46
NOD1 Q9Y239 4/20 0.46
ALOX15 P16050 2/20 0.43
TSHR P16473 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1979480 0.87 NOD2 (0.45) NOD2NOD1TSHRKDM4EMAPT
SCHEMBL1981668 0.78 CYP1A2 (0.43) TSHRKDM4EMAPTMAPK1LMNA
SCHEMBL31264263 0.77 NOD2 (0.53) NOD2NOD1ALOX15TSHRKDM4E
SCHEMBL7626390 0.77 NOD2 (0.53) NOD2NOD1ALOX15TSHRKDM4E
SCHEMBL8689671 0.77 NOD2 (0.47) NOD2NOD1ALOX15TSHRKDM4E
SCHEMBL24187399 0.72 KDM4E (0.50) NOD2NOD1ALOX15KDM4EMAPT
SCHEMBL13415454 0.72 NOD2 (0.51) NOD2NOD1ALOX15TSHRKDM4E
SCHEMBL2398795 0.71 NOD2 (0.48) NOD2NOD1ALOX15TSHRKDM4E
SCHEMBL28575225 0.71 CYP1A2 (0.47) NOD2NOD1TSHRKDM4EMAPT
SCHEMBL13114472 0.71 NOD2 (0.81) NOD2NOD1ALOX15TSHRKDM4E

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 NOD2 2769/4885NOD1 642/4885ALOX15 846/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 NOD2 3145/4885NOD1 523/4885ALOX15 184/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR NOD2 2769/4885NOD1 642/4885ALOX15 846/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A NOD2 3933/4885NOD1 1082/4885ALOX15 261/4885

“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.