SCHEMBL5352972

SCHEMBL5352972

C[C@@H]1CNC(=O)c2cc3cc(F)ccc3n21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
RPS6KA2 Q15349 15/20 0.45
RPS6KA3 P51812 2/20 0.45
RPS6KA1 Q15418 1/20 0.45
RPS6KA6 Q9UK32 1/20 0.45
PER2 O15055 1/20 0.41
CRY2 Q49AN0 1/20 0.41

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
SCHEMBL5352981 1.00 HRH3 (0.55) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL4044891 0.84 HRH3 (0.56) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL4041103 0.84 HRH3 (0.56) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL2983427 0.83 HRH3 (0.55) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL2983142 0.83 HRH3 (0.55) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL2983139 0.83 HRH3 (0.55) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL31300701 0.81 RPS6KA2 (0.59) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL1979881 0.81 RPS6KA2 (0.59) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL4041346 0.80 HRH3 (0.47) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3
SCHEMBL4041351 0.80 HRH3 (0.47) HRH3CYP3A4CYP2D6RPS6KA2RPS6KA3

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 HRH3 372/4885CYP3A4 363/4885CYP2D6 711/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 HRH3 1466/4885CYP3A4 415/4885CYP2D6 619/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR HRH3 372/4885CYP3A4 363/4885CYP2D6 711/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HRH3 2039/4885CYP3A4 285/4885CYP2D6 954/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A HRH3 2377/4885CYP3A4 451/4885CYP2D6 619/4885

“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.