SCHEMBL7647680

SCHEMBL7647680

O=[N+]([O-])c1cccc(S(=O)(=O)CCCN2CCc3ccccc3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 1/20 0.60
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
HTR7 P34969 9/20 0.50
ALDH1A1 P00352 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7648765 0.89 ALDH1A1 (0.54) MEN1KMT2AGRIN1GRIN2BHTR7
Hydrochloric Acid SCHEMBL2140664 0.83 HTR7 (0.69) MEN1POLBKMT2AHTR7ALDH1A1
SCHEMBL7647774 0.83 HTR7 (0.55) HTR7HTR1AHTR2A
Hydrochloric Acid SCHEMBL4232329 0.83 HTR7 (0.70) MEN1POLBKMT2AGRIN1GRIN2B
SCHEMBL4791675 0.82 SIGMAR1 (0.67) GRIN1GRIN2B
Hydrochloric Acid SCHEMBL4230045 0.82 HTR7 (0.69) MEN1POLBKMT2AGRIN1GRIN2B
SCHEMBL4832048 0.82 HTR7 (0.69) MEN1POLBKMT2AHTR7ALDH1A1
SCHEMBL7651469 0.78 HTR7 (0.63) MEN1KMT2AHTR7HTR1AHTR2A
SCHEMBL4222537 0.76 ALDH1A1 (0.63) MEN1POLBKMT2AGRIN1GRIN2B
SCHEMBL7647222 0.76 HTR1A (0.69) MEN1POLBKMT2AGRIN1GRIN2B

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 5 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

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 MEN1 1132/4885POLB 3434/4885KMT2A 3243/4885

“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.