SCHEMBL5373605

SCHEMBL5373605

CC(C)(C)OC(=O)N1CCN(c2cccc3c2CC(F)(F)CC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
NAMPT P43490 1/20 0.43
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 2/20 0.40
TSHR P16473 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ALOX15 P16050 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL30839787 0.90 NAMPT (0.46) NAMPTPDK2ALDH1A1LMNAMAPT
SCHEMBL5366531 0.90 NAMPT (0.46) NAMPTPDK2ALDH1A1LMNAMAPT
SCHEMBL21995746 0.83 NAMPT (0.50) NAMPTALDH1A1LMNAMAPTBACE1
SCHEMBL25003310 0.81 HTR1A (0.49) NAMPTALDH1A1LMNAMAPTTMEM97
SCHEMBL30885784 0.81 HTR1A (0.49) NAMPTALDH1A1LMNAMAPTTMEM97
SCHEMBL5365158 0.79 KDM1A (0.43) KDM1ANAMPTPDK2ALDH1A1LMNA
SCHEMBL5366513 0.78 NAMPT (0.46) KDM1ANAMPTALDH1A1LMNAMAPT
SCHEMBL21743913 0.78 NAMPT (0.53) NAMPTALDH1A1LMNAMAPTTMEM97
SCHEMBL16109478 0.78 BACE1 (0.44) KDM1ANAMPTPDK2ALDH1A1LMNA
SCHEMBL30885787 0.78 NAMPT (0.43) NAMPTPDK2ALDH1A1LMNAMAPT

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 KDM1A 2080/4885NAMPT 1614/4885PDK2 1501/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 KDM1A 2080/4885NAMPT 1614/4885PDK2 1501/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 KDM1A 2080/4885NAMPT 1614/4885PDK2 1501/4885

“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.