SCHEMBL5224229

SCHEMBL5224229

O=C1CCCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1

nearest known ligand 0.90

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.90
HTR1A P08908 18/20 0.90
HTR2A P28223 18/20 0.90
DRD1 P21728 1/20 0.67
DRD4 P21917 1/20 0.67
DRD5 P21918 1/20 0.67
HTR2C P28335 1/20 0.67
DRD3 P35462 1/20 0.67
HTR2B P41595 1/20 0.67

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
Pf-00217830 SCHEMBL29749575 0.95 DRD2 (1.00) DRD2HTR1AHTR2A
Pf-00217830 SCHEMBL29875552 0.95 DRD2 (1.00) DRD2HTR1AHTR2A
Pf-00217830 SCHEMBL1152825 0.95 DRD2 (1.00) DRD2HTR1AHTR2A
SCHEMBL5368945 0.94 DRD2 (0.98) DRD2HTR1AHTR2A
SCHEMBL3399721 0.93 DRD2 (0.93) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL5363253 0.92 DRD2 (0.94) DRD2HTR1AHTR2A
Pf-00217830 SCHEMBL4793130 0.91 DRD2 (0.92) DRD2HTR1AHTR2A
SCHEMBL5218044 0.90 DRD2 (0.91) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL5224223 0.88 DRD2 (0.95) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL5220651 0.88 HTR1A (0.71) DRD2HTR1AHTR2ADRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP claimed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US claimed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 WO claimed
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 DRD2 8/4885HTR1A 36/4885HTR2A 50/4885

“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.