SCHEMBL4045391

SCHEMBL4045391

Cc1c(Br)ccc2cc3n(c12)C(C)CNC3=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
RPS6KA2 Q15349 11/20 0.43
RPS6KA3 P51812 6/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4045383 1.00 HRH3 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4043156 0.86 RPS6KA2 (0.44) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4043148 0.86 RPS6KA2 (0.44) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4043539 0.84 RPS6KA2 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4043536 0.84 RPS6KA2 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4039267 0.84 RPS6KA2 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4044641 0.84 RPS6KA3 (0.45) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4044650 0.84 RPS6KA3 (0.45) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4039272 0.84 RPS6KA2 (0.43) HRH3RPS6KA2RPS6KA3CYP3A4CYP2D6
SCHEMBL4043503 0.83 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HRH3 2039/4885RPS6KA2 3410/4885RPS6KA3 3905/4885

“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.