SCHEMBL5363667

SCHEMBL5363667

O=C1COc2ccc(CCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.56
DRD2 P14416 13/20 0.56
HTR2A P28223 12/20 0.56
HTR1D P28221 8/20 0.49
HTR1B P28222 8/20 0.49
SLC6A4 P31645 6/20 0.45
HTR2B P41595 2/20 0.43
KCNH2 Q12809 2/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL5369108 0.87 DRD2 (0.73) HTR1ADRD2HTR2AHTR2BHTR2C
SCHEMBL5374991 0.85 DRD2 (0.77) HTR1ADRD2HTR2AHTR2BHTR2C
SCHEMBL5372341 0.84 DRD2 (0.72) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL5379392 0.84 DRD2 (0.77) HTR1ADRD2HTR2AHTR2BHTR2C
SCHEMBL5371369 0.83 HTR1A (0.53) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL5371362 0.83 HTR1A (0.53) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL4164784 0.77 HTR1A (0.70) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL5369081 0.74 DRD2 (0.81) HTR1ADRD2HTR2AHTR2BHTR2C
SCHEMBL5372068 0.72 DRD2 (0.75) HTR1ADRD2HTR2A
SCHEMBL4759905 0.72 DRD2 (1.00) HTR1ADRD2HTR2AHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US 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 (3 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 HTR1A 191/4885DRD2 2/4885HTR2A 328/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR1A 191/4885DRD2 2/4885HTR2A 328/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR1A 191/4885DRD2 2/4885HTR2A 328/4885

“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.