SCHEMBL4043503

SCHEMBL4043503

C[C@@H]1CNC(=O)c2cc3cccc(Br)c3n21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
RPS6KA2 Q15349 10/20 0.43
RPS6KA3 P51812 7/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL4043509 1.00 HRH3 (0.44) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL5357142 0.85 RPS6KA2 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL5357135 0.85 RPS6KA2 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4042547 0.84 RPS6KA2 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4042543 0.84 RPS6KA2 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4045391 0.83 HRH3 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4037838 0.83 RPS6KA2 (0.42) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4045383 0.83 HRH3 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4037843 0.83 RPS6KA2 (0.42) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4049372 0.81 HRH3 (0.44) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880036-B1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN LA ROCHE (CH) 2017-03-08 EP disclosed
US-9284321-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-1-one HOFFMANN-LA ROCHE INC. (US) 2016-03-15 US disclosed
US-20150246922-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN-LA ROCHE INC. (US) 2015-09-03 US disclosed
EP-2880036-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. Hoffmann-La Roche AG (CH) 2015-06-10 EP disclosed
WO-2014023674-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO disclosed
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
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 (6 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 372/4885RPS6KA2 3398/4885RPS6KA3 2213/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 HRH3 1466/4885RPS6KA2 3612/4885RPS6KA3 3186/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR HRH3 372/4885RPS6KA2 3398/4885RPS6KA3 2213/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HRH3 2039/4885RPS6KA2 3410/4885RPS6KA3 3905/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A HRH3 2377/4885RPS6KA2 4150/4885RPS6KA3 3162/4885
US-20150246922-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HTR1D, HTR1A, DRD2 HRH3 1436/4885RPS6KA2 1996/4885RPS6KA3 2135/4885

“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.