SCHEMBL8247179

SCHEMBL8247179

CC1Cc2ccc([N+](=O)[O-])cc2C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.57
ADRA2A P08913 3/20 0.57
ADRA2B P18089 3/20 0.57
ADRA2C P18825 3/20 0.57
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
TDP2 O95551 2/20 0.48
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 2/20 0.44
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
DRD1 P21728 1/20 0.43
PARP1 P09874 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL10854713 0.79 TDP2 (0.45) PNMTADRA2AADRA2BADRA2CGAA
SCHEMBL11035541 0.79 TDP2 (0.45) PNMTADRA2AADRA2BADRA2CGAA
SCHEMBL29507848 0.79 PNMT (0.48) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL28734719 0.79 PNMT (0.48) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL2246368 0.77 ACHE (0.58) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL6968655 0.77 ALDH1A1 (0.62) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL257552 0.77 ALDH1A1 (0.62) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL21333673 0.75 TSHR (0.60) PNMTADRA2AADRA2BADRA2CTSHR
SCHEMBL21470711 0.75 TSHR (0.60) TSHRGAATDP2
SCHEMBL30285537 0.75 TSHR (0.60) PNMTADRA2AADRA2BADRA2CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO 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 (1 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-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A PNMT 671/4885ADRA2A 1301/4885ADRA2B 1507/4885

“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.