SCHEMBL5379573

SCHEMBL5379573

O=c1ccc2cnc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 1.00
HTR1A P08908 7/20 1.00
HTR2A P28223 7/20 1.00
DRD3 P35462 6/20 0.70
KCNH2 Q12809 2/20 0.70
DRD4 P21917 3/20 0.54
DRD1 P21728 2/20 0.54
DRD5 P21918 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1E P28566 1/20 0.53

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
SCHEMBL29549434 0.87 DRD2 (1.00) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL8423 0.87 DRD2 (1.00) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL30552363 0.87 DRD2 (1.00) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL5373919 0.86 DRD2 (0.76) DRD2HTR1AHTR2ADRD3KCNH2
Hydrochloric Acid SCHEMBL29923538 0.86 DRD2 (0.98) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL30964304 0.86 DRD2 (0.98) DRD2HTR1AHTR2ADRD3DRD4
Hydrochloric Acid SCHEMBL29365523 0.86 DRD2 (0.98) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL5366616 0.84 DRD2 (1.00) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL5382774 0.84 DRD2 (0.72) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL14587005 0.84 DRD2 (0.94) DRD2HTR1AHTR2ADRD3DRD4

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 4 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
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.