SCHEMBL5353453

SCHEMBL5353453

CC1CNC(=O)c2cc3cccc(OC(F)(F)F)c3n21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 15/20 0.42
PIM2 Q9P1W9 15/20 0.42
RPS6KA3 P51812 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
RPS6KA2 Q15349 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
SCHEMBL5353445 1.00 PIM1 (0.42) PIM1PIM2RPS6KA3HRH3CYP3A4
SCHEMBL4043556 0.82 P2RX7 (0.46) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2
SCHEMBL4043554 0.82 P2RX7 (0.46) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2
SCHEMBL4042547 0.80 RPS6KA2 (0.43) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2
SCHEMBL4042543 0.80 RPS6KA2 (0.43) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2
SCHEMBL5357135 0.79 RPS6KA2 (0.43) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2
SCHEMBL5357142 0.79 RPS6KA2 (0.43) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2
SCHEMBL4043503 0.78 HRH3 (0.44) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2
SCHEMBL4043509 0.78 HRH3 (0.44) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2
SCHEMBL4037838 0.77 RPS6KA2 (0.42) RPS6KA3HRH3CYP3A4CYP2D6RPS6KA2

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 13 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-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP 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
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO 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 PIM1 2627/4885PIM2 3375/4885RPS6KA3 2213/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 PIM1 1820/4885PIM2 1984/4885RPS6KA3 3186/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR PIM1 2627/4885PIM2 3375/4885RPS6KA3 2213/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 PIM1 2613/4885PIM2 1107/4885RPS6KA3 3905/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A PIM1 3060/4885PIM2 3796/4885RPS6KA3 3162/4885

“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.