SCHEMBL7648765

SCHEMBL7648765

O=[N+]([O-])c1ccc(S(=O)(=O)CCCN2CCc3ccccc3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR7 P34969 8/20 0.51
ABCB1 P08183 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL7647680 0.89 MEN1 (0.60) ALDH1A1GAAMAPTMAPK1SMN1; SMN2
SCHEMBL7651469 0.84 HTR7 (0.63) MEN1KMT2AHTR7HTR1AHTR2A
SCHEMBL7651640 0.81 HTR7 (0.54) HTR7HTR1AHTR2A
SCHEMBL9433748 0.80 HTR7 (0.76) ALDH1A1GAAMAPTMAPK1SMN1; SMN2
SCHEMBL8789322 0.80 HTR5A (0.67) ALDH1A1GAAMAPTMAPK1SMN1; SMN2
SCHEMBL7598211 0.79 ABCB1 (0.74) ALDH1A1GAAMAPTMAPK1SMN1; SMN2
SCHEMBL7649017 0.78 HTR1A (0.73) ALDH1A1GAAMAPTMAPK1SMN1; SMN2
SCHEMBL7647665 0.77 HTR7 (0.52) HTR7HTR1AHTR2A
SCHEMBL7647774 0.77 HTR7 (0.55) HTR7HTR1AHTR2A
SCHEMBL4791675 0.76 SIGMAR1 (0.67) GRIN1GRIN2BABCB1ABCG2

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-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US claimed
US-6239143-B1 TREATMENT CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, SLEEP DISORDERS, AND SCHIZOPHRENIA. DUPONT PHARMACEUTICALS COMPANY 2001-05-29 US claimed
US-6486173-B2 SEROTONIN-7 (5-HT7); TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS SLEEP DISORDERS, DEPRESSION AND SCHIZOPHRENIA; FOR EXAMPLE 1,3-DIHYDRO-2-((4-(4-FLUOROPHENYL)-4-OXOBUTYL))ISOINDOLE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-26 US disclosed
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US disclosed
US-6239143-B1 TREATMENT CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, SLEEP DISORDERS, AND SCHIZOPHRENIA. DUPONT PHARMACEUTICALS COMPANY 2001-05-29 US disclosed
WO-2000000472-A1 5-HT7 RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 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-20010041714-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A ALDH1A1 2592/4885GAA 2837/4885MAPT 1027/4885

“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.