SCHEMBL5371126

SCHEMBL5371126

CC(C)(C)OC(=O)N1CCN(c2cccc3ccc(OS(=O)(=O)C(F)(F)F)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.51
HTR1A P08908 10/20 0.50
HTR1D P28221 9/20 0.50
HTR1B P28222 9/20 0.50
BACE1 P56817 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
PDK2 Q15119 1/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
ACHE P22303 1/20 0.42
SLC2A1 P11166 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5363589 0.85 MTNR1B (0.69) MTNR1BHTR1AHTR1DHTR1BBACE1
SCHEMBL6307480 0.84 HTR1A (0.62) MTNR1BHTR1AHTR1DHTR1B
SCHEMBL4728868 0.82 MAPT (0.52) MTNR1BHTR1AHTR1DHTR1BBACE1
SCHEMBL5373904 0.82 BACE1 (0.51) MTNR1BHTR1AHTR1DHTR1BBACE1
SCHEMBL6630959 0.81 BACE1 (0.64) BACE1HPGD
SCHEMBL27656338 0.80 HTR1A (0.48) MTNR1BHTR1AHTR1DHTR1BKDM4E
SCHEMBL5372246 0.80 HTR5A (0.55) MTNR1BHTR1AHTR1DHTR1BBACE1
SCHEMBL31185603 0.80 HTR5A (0.55) MTNR1BHTR1AHTR1DHTR1BBACE1
SCHEMBL6308917 0.79 BACE1 (0.51) MTNR1BHTR1AHTR1DHTR1BBACE1
SCHEMBL5375431 0.79 BACE1 (0.51) MTNR1BHTR1AHTR1DHTR1BBACE1

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
WO-2023165581-A1 PYRIDINE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-09-07 WO disclosed
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 MTNR1B 163/4885HTR1A 191/4885HTR1D 37/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MTNR1B 163/4885HTR1A 191/4885HTR1D 37/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MTNR1B 163/4885HTR1A 191/4885HTR1D 37/4885

“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.