SCHEMBL5356490

SCHEMBL5356490

CCOC(=O)c1cc2c(C)ccc(F)c2n1C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
SERPINE1 P05121 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
AAK1 Q2M2I8 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
TSHR P16473 2/20 0.33
PCSK9 Q8NBP7 1/20 0.33
DHODH Q02127 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PHGDH O43175 1/20 0.32
MDM2 Q00987 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 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
SCHEMBL5356485 1.00 SYK (0.37) SYKSERPINE1NPC1RAB9ASMN1; SMN2
SCHEMBL5361450 0.95 SYK (0.38) SYKSERPINE1NPC1RAB9ASMN1; SMN2
SCHEMBL5361454 0.95 SYK (0.38) SYKSERPINE1NPC1RAB9ASMN1; SMN2
SCHEMBL5357155 0.93 SYK (0.40) SYKSERPINE1NPC1RAB9ASMN1; SMN2
SCHEMBL5357148 0.93 SYK (0.40) SYKSERPINE1NPC1RAB9ASMN1; SMN2
SCHEMBL5353567 0.92 SYK (0.36) SYKSERPINE1NPC1RAB9ASMN1; SMN2
SCHEMBL5353571 0.92 SYK (0.36) SYKSERPINE1NPC1RAB9ASMN1; SMN2
SCHEMBL27521700 0.89 AAK1 (0.36) SYKSERPINE1RAB9AKDM4EAAK1
SCHEMBL5351156 0.87 SYK (0.37) SYKSERPINE1NPC1RAB9ASMN1; SMN2
SCHEMBL5356323 0.87 AAK1 (0.38) SYKSERPINE1NPC1RAB9ASMN1; SMN2

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 SYK 3413/4885SERPINE1 3768/4885NPC1 312/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 SYK 4160/4885SERPINE1 2358/4885NPC1 570/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR SYK 3413/4885SERPINE1 3768/4885NPC1 312/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A SYK 3324/4885SERPINE1 2396/4885NPC1 627/4885

“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.