SCHEMBL4223191

SCHEMBL4223191

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
GRIN1 Q05586 2/20 0.51
GRIN2B Q13224 2/20 0.51
HTR7 P34969 7/20 0.49
DRD2 P14416 1/20 0.46
HTR6 P50406 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL4223174 0.93 SIGMAR1 (0.48) SIGMAR1GRIN1GRIN2BHTR7DRD2
Hydrochloric Acid SCHEMBL4232142 0.93 HTR7 (0.58) GRIN1GRIN2BHTR7HTR6MEN1
Hydrochloric Acid SCHEMBL4232372 0.92 HTR7 (0.57) GRIN1GRIN2BHTR7HTR6MEN1
SCHEMBL8982080 0.90 HTR7 (0.49) SIGMAR1GRIN1GRIN2BHTR7DRD2
SCHEMBL4224250 0.90 TMEM97 (0.53) SIGMAR1
Hydrochloric Acid SCHEMBL2140275 0.90 HTR7 (0.57) GRIN1GRIN2BHTR7HTR6MEN1
Hydrochloric Acid SCHEMBL4223051 0.89 TMEM97 (0.52) SIGMAR1
Hydrochloric Acid SCHEMBL4223210 0.89 SIGMAR1 (0.48) SIGMAR1GRIN1GRIN2BHTR7DRD2
SCHEMBL4231325 0.87 SIGMAR1 (0.53) SIGMAR1GRIN1GRIN2BHTR7DRD2
SCHEMBL4219617 0.87 HTR7 (0.58) SIGMAR1GRIN1GRIN2BHTR7HTR6

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-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-20060040978-A1 5-HT7 receptor antagonists LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-02-23 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 (2 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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A SIGMAR1 140/4885GRIN1 220/4885GRIN2B 80/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A SIGMAR1 140/4885GRIN1 220/4885GRIN2B 80/4885

“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.