SCHEMBL5365370

SCHEMBL5365370

CC1(C)C=Cc2cccc(Br)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.38
HTR2C P28335 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NR1H4 Q96RI1 1/20 0.34
IDO1 P14902 3/20 0.33
HTR2B P41595 1/20 0.33
CCR8 P51685 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTPN1 P18031 1/20 0.33
CTSV O60911 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
CA2 P00918 1/20 0.33
XBP1 P17861 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
SCHEMBL13805579 0.79 HTR2C (0.55) PPARDHTR2CHSD17B10IDO1HTR2B
SCHEMBL4239444 0.74 PPARD (0.39) PPARDHTR2CHSD17B10NR1H4IDO1
SCHEMBL10772005 0.73 HIF1A (0.37) PPARDHSD17B10CCR8KCNH2CA12
SCHEMBL30937310 0.73 ALDH1A1 (0.50) PPARDHTR2CHSD17B10NR1H4IDO1
SCHEMBL8133127 0.73 ALDH1A1 (0.50) PPARDHTR2CHSD17B10NR1H4IDO1
SCHEMBL8810252 0.72 PPARD (0.38) PPARDHTR2CHSD17B10IDO1CCR8
SCHEMBL27740620 0.71 TDP1 (0.42) PPARDHSD17B10IDO1CA1CA7
SCHEMBL29245048 0.71 CCR8 (0.33) PPARDHTR2CIDO1CCR8KCNH2
SCHEMBL8136944 0.69 CA12 (0.43) HSD17B10NR1H4IDO1CA12CA1
SCHEMBL7300630 0.69 HTR1A (0.33) HTR2B

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 PPARD 470/4885HTR2C 330/4885HSD17B10 3327/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PPARD 470/4885HTR2C 330/4885HSD17B10 3327/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PPARD 470/4885HTR2C 330/4885HSD17B10 3327/4885

“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.