SCHEMBL4218474

SCHEMBL4218474

O=[N+]([O-])c1ccc2c(c1)CN(CCCCNS(=O)(=O)c1c(F)cc(F)cc1Br)CC2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTR7 P34969 8/20 0.45
HTR6 P50406 2/20 0.41
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.39

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 SCHEMBL4216209 0.98 GRIN1 (0.45) GRIN1GRIN2BSIGMAR1HTR7HTR6
SCHEMBL8982042 0.91 HTR7 (0.45) GRIN1GRIN2BSIGMAR1HTR7HTR6
SCHEMBL14502634 0.91 HTR7 (0.44) GRIN1GRIN2BSIGMAR1HTR7HTR6
SCHEMBL4222498 0.87 GRIN1 (0.47) GRIN1GRIN2BSIGMAR1HTR7HTR6
SCHEMBL8981888 0.85 HTR7 (0.62) HTR7HTR6DRD2
SCHEMBL4228663 0.85 GRIN1 (0.49) GRIN1GRIN2BSIGMAR1HTR7HTR6
Hydrochloric Acid SCHEMBL4224360 0.85 HTR7 (0.61) HTR7HTR6DRD2
Hydrochloric Acid SCHEMBL4224217 0.83 GRIN1 (0.47) GRIN1GRIN2BSIGMAR1HTR7HTR6
SCHEMBL4218203 0.83 HTR7 (0.56) GRIN1GRIN2BSIGMAR1HTR7HTR6
SCHEMBL4231325 0.83 SIGMAR1 (0.53) GRIN1GRIN2BSIGMAR1HTR7HTR6

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-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
WO-2009028899-A1 1'-ALKYLPIPERIDINE-4'-SPIRO-2-6-(AMIDO)-2H-BENZOPYRAN DERIVATIVES HAVING ANTICANCER ACTIVITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-03-05 WO 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 GRIN1 220/4885GRIN2B 80/4885SIGMAR1 140/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A GRIN1 220/4885GRIN2B 80/4885SIGMAR1 140/4885

“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.