SCHEMBL5353301

SCHEMBL5353301

CCOC(=O)c1cc2cc(F)c(Cl)cc2n1[C@H](C)CNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
TSHR P16473 1/20 0.34
SYK P43405 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ABCB1 P08183 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
EGFR P00533 1/20 0.32
NOD2 Q9HC29 3/20 0.32
NOD1 Q9Y239 3/20 0.32
PHGDH O43175 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
SCHEMBL5353304 1.00 SERPINE1 (0.36) SERPINE1ALDH1A1MAPTKDM4EGAA
SCHEMBL5356622 0.90 SERPINE1 (0.37) SERPINE1ALDH1A1MAPTKDM4ETSHR
SCHEMBL5356619 0.90 SERPINE1 (0.37) SERPINE1ALDH1A1MAPTKDM4ETSHR
SCHEMBL5357064 0.85 NOD2 (0.38) SERPINE1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5357070 0.85 NOD2 (0.38) SERPINE1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5356353 0.83 AAK1 (0.36) SERPINE1ALDH1A1MAPTTSHRSYK
SCHEMBL5356361 0.83 AAK1 (0.36) SERPINE1ALDH1A1MAPTTSHRSYK
SCHEMBL5361095 0.82 MAPT (0.45) SERPINE1MAPTKDM4ETSHRSYK
SCHEMBL5361079 0.82 MAPT (0.45) SERPINE1MAPTKDM4ETSHRSYK
SCHEMBL4042712 0.82 SYK (0.36) SERPINE1ALDH1A1MAPTKDM4EGAA

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 SERPINE1 3768/4885ALDH1A1 368/4885MAPT 3730/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 SERPINE1 2358/4885ALDH1A1 254/4885MAPT 3760/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR SERPINE1 3768/4885ALDH1A1 368/4885MAPT 3730/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A SERPINE1 2396/4885ALDH1A1 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.