SCHEMBL5375431

SCHEMBL5375431

CC(C)(C)OC(=O)N1CCN(c2cccc3ccc(Cl)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MTNR1B P49286 1/20 0.49
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
MAPT P10636 2/20 0.48
STS P08842 2/20 0.46
ACHE P22303 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
IDE P14735 2/20 0.46
GPR119 Q8TDV5 1/20 0.46
POLB P06746 1/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
CKS1B P61024 1/20 0.44

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
SCHEMBL5372246 0.87 HTR5A (0.55) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL31185603 0.87 HTR5A (0.55) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL6308917 0.86 BACE1 (0.51) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL5373904 0.86 BACE1 (0.51) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL4558301 0.85 BACE1 (0.59) BACE1HTR1AHTR1DHTR1BMAPT
SCHEMBL5379402 0.85 BACE1 (0.50) BACE1MEN1KMT2AMTNR1BHTR1A
SCHEMBL5363589 0.85 MTNR1B (0.69) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL4728868 0.84 MAPT (0.52) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL25388027 0.83 CKS1B (0.49) BACE1MEN1KMT2AMTNR1BHTR1A
SCHEMBL31185591 0.83 CKS1B (0.49) BACE1MEN1KMT2AMTNR1BHTR1A

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 BACE1 445/4885MEN1 3394/4885KMT2A 1551/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 BACE1 445/4885MEN1 3394/4885KMT2A 1551/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 BACE1 445/4885MEN1 3394/4885KMT2A 1551/4885

“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.