SCHEMBL5372271

SCHEMBL5372271

CC1(C)C(=O)Nc2nc(OCCCCOCc3ccccc3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SOAT1 P35610 1/20 0.35
REN P00797 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL253025 0.73 DRD2 (0.56)
SCHEMBL5366683 0.71 KCNH2 (0.40) GRM5
SCHEMBL5249506 0.71 ALDH1A1 (0.36) ALDH1A1HRH4HRH3GRM5TDP1
SCHEMBL5364423 0.69 HTR1A (0.47) ALDH1A1HRH4HRH3GRM5TDP1
SCHEMBL5374958 0.69 HRH4 (0.44) HRH4HRH3GRM5TDP1L3MBTL1
SCHEMBL2640223 0.65 TSHR (0.70) HRH4HRH3TDP1L3MBTL1
SCHEMBL5191114 0.65 NOX1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20129054 0.64 TSHR (0.44) HRH4HRH3TDP1L3MBTL1MAOA
SCHEMBL10390255 0.64 FAAH (0.47) ALDH1A1HRH4HRH3TDP1L3MBTL1
SCHEMBL5363708 0.64 NUDT1 (0.42) ALDH1A1HRH4MEN1MAPTKMT2A

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 ALDH1A1 1148/4885HRH4 992/4885HRH3 1786/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ALDH1A1 1148/4885HRH4 992/4885HRH3 1786/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ALDH1A1 1148/4885HRH4 992/4885HRH3 1786/4885

“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.