SCHEMBL5375563

SCHEMBL5375563

O=C1CCc2cnc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.75
HTR1A P08908 14/20 0.75
HTR2A P28223 14/20 0.75
DRD3 P35462 6/20 0.75
HTR2B P41595 4/20 0.75
DRD1 P21728 3/20 0.75
DRD4 P21917 3/20 0.75
DRD5 P21918 3/20 0.75
HTR2C P28335 3/20 0.75
KCNH2 Q12809 3/20 0.75
HTR7 P34969 2/20 0.75
HTR6 P50406 2/20 0.75
HTR3E A5X5Y0 1/20 0.75
MEN1 O00255 1/20 0.75
MLNR O43193 1/20 0.75
HTR3B O95264 1/20 0.75
ABCB11 O95342 1/20 0.75
ESR1 P03372 1/20 0.75
PGR P06401 1/20 0.75
ADRB2 P07550 1/20 0.75

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
SCHEMBL5372469 0.86 DRD2 (0.72) DRD2HTR1AHTR2ADRD3HTR2B
SCHEMBL5371389 0.86 DRD2 (0.69) DRD2HTR1AHTR2ADRD3HTR2B
Aripiprazole SCHEMBL8255 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3HTR2B
Aripiprazole SCHEMBL29438823 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3HTR2B
Aripiprazole SCHEMBL982189 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3HTR2B
Aripiprazole SCHEMBL29475638 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3HTR2B
Aripiprazole SCHEMBL29475637 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3HTR2B
Aripiprazole SCHEMBL29356997 0.85 DRD2 (1.00) DRD2HTR1AHTR2ADRD3HTR2B
SCHEMBL5365020 0.85 DRD2 (0.71) DRD2HTR1AHTR2ADRD3HTR2B
SCHEMBL5364602 0.85 DRD2 (0.71) DRD2HTR1AHTR2ADRD3HTR2B

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 DRD2 2/4885HTR1A 191/4885HTR2A 328/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 DRD2 2/4885HTR1A 191/4885HTR2A 328/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 DRD2 2/4885HTR1A 191/4885HTR2A 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.