SCHEMBL5366896

SCHEMBL5366896

CC1(C)COc2c(Br)cccc2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL24440185 0.78 LMNA (0.37) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL8316228 0.77 HTR1A (0.39) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL8897383 0.74 LMNA (0.48) ALDH1A1MAPTLMNA
SCHEMBL7917857 0.71 TAAR1 (0.48) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL15216812 0.70 HTR1A (0.34) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7971051 0.69 OXTR (0.39)
SCHEMBL22989998 0.69 TRPA1 (0.34) ALDH1A1
SCHEMBL7920438 0.69 PDE7A (0.40) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL5366528 0.69 ADRB1 (0.50) HTR1AHTR7HTR2BSIGMAR1
SCHEMBL7932425 0.69 HTR1A (0.33) HTR1AHTR7HTR2BTMEM97SIGMAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422181-C [1,8] naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2008-10-01 CN 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
CN-1839134-A [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2006-09-27 CN 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 HTR1A 191/4885HTR7 426/4885HTR2B 822/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR1A 191/4885HTR7 426/4885HTR2B 822/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR1A 191/4885HTR7 426/4885HTR2B 822/4885

“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.