SCHEMBL4042717

SCHEMBL4042717

CCOC(=O)c1cc2ccc(Cl)c(F)c2n1C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SERPINE1 P05121 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PCSK9 Q8NBP7 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
ABCB1 P08183 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
TSHR P16473 2/20 0.32
IDO1 P14902 1/20 0.32
ENPP2 Q13822 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL4042712 1.00 SYK (0.36) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL5356061 0.92 SYK (0.37) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL5356065 0.92 SYK (0.37) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL5351156 0.91 SYK (0.37) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL5361545 0.91 SYK (0.37) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL5361547 0.91 SYK (0.37) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL5351160 0.91 SYK (0.37) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL29276674 0.90 SYK (0.36) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL26931384 0.90 SYK (0.36) SYKALDH1A1MAPTSERPINE1KDM4E
SCHEMBL5359174 0.88 SYK (0.37) SYKALDH1A1MAPTSERPINE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
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-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 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-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US 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 (5 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 SYK 3413/4885ALDH1A1 368/4885MAPT 3730/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 SYK 4160/4885ALDH1A1 254/4885MAPT 3760/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR SYK 3413/4885ALDH1A1 368/4885MAPT 3730/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 SYK 3028/4885ALDH1A1 1203/4885MAPT 2391/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A SYK 3324/4885ALDH1A1 225/4885MAPT 3381/4885

“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.