SCHEMBL5364585

SCHEMBL5364585

COC(=O)C(C)(C)COc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 3/20 0.56
SSTR4 P31391 3/20 0.56
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
GRM4 Q14833 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTR7 P34969 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
POLB P06746 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
SCHEMBL5368512 0.85 SSTR1 (0.54) SSTR1SSTR4RAB9ANPC1GRM4
SCHEMBL21749119 0.81 SSTR4 (0.61) SSTR1SSTR4RAB9ANPC1KMT2A
SCHEMBL21748706 0.78 SSTR4 (0.58) SSTR1SSTR4L3MBTL1KMT2AMEN1
SCHEMBL5367643 0.78 SSTR4 (0.51) SSTR4RAB9ANPC1L3MBTL1HPGD
SCHEMBL15201366 0.78 HTR7 (0.49) SSTR1SSTR4RAB9ANPC1GRM4
SCHEMBL2229365 0.77 HTR7 (0.52) SSTR1SSTR4RAB9ANPC1GRM4
SCHEMBL14460818 0.77 HTR7 (0.52) SSTR1SSTR4RAB9ANPC1GRM4
SCHEMBL18700246 0.77 CYP2C9 (0.41) SSTR1SSTR4KMT2AHPGDHTT
SCHEMBL8263994 0.75 ALDH1A1 (0.48) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5009269 0.75 GRM4 (0.55) RAB9ANPC1GRM4L3MBTL1KMT2A

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 SSTR1 2654/4885SSTR4 3647/4885RAB9A 276/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 SSTR1 2654/4885SSTR4 3647/4885RAB9A 276/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 SSTR1 2654/4885SSTR4 3647/4885RAB9A 276/4885

“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.