SCHEMBL4701408

SCHEMBL4701408

O=S(=O)(c1cnc2c(N3CCNCC3)cccc2c1)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.66
HTR2A P28223 5/20 0.66
HTR1A P08908 1/20 0.66
DRD2 P14416 1/20 0.66
HTR7 P34969 1/20 0.66
HTR2C P28335 2/20 0.49
SLC6A4 P31645 1/20 0.49
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
PKM P14618 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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 SCHEMBL4699560 0.99 HTR6 (0.65) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4698757 0.89 HTR6 (0.72) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4697886 0.88 HTR6 (0.71) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4700085 0.80 TSHR (0.51) ALDH1A1KDM4EHTTPKMMEN1
SCHEMBL4702216 0.80 HTR6 (0.59) HTR6HTR2AHTR1ADRD2HTR7
Intepirdine SCHEMBL1683964 0.80 HTR6 (1.00) HTR6HTR2AHTR1ADRD2HTR7
Intepirdine SCHEMBL29355057 0.80 HTR6 (1.00) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4699246 0.80 TGM2 (0.46) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4698200 0.79 HTR6 (0.58) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4702019 0.79 HTR6 (0.67) HTR6HTR2AHTR1ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660483-B1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-12-24 EP claimed
US-20080275040-A1 8-(1-Piperazinyl)-Quinoline Derivatives and Their Use in the Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-11-06 US claimed
EP-1660483-A1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-05-31 EP claimed
WO-2005021530-A1 8- (1-PIPERAZINYL)- QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-03-10 WO claimed
EP-1660483-B1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-12-24 EP disclosed
US-20080275040-A1 8-(1-Piperazinyl)-Quinoline Derivatives and Their Use in the Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275040-A1 8-(1-Piperazinyl)-Quinoline Derivatives and Their Use in the Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-11-06 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-20080275040-A1 8-(1-Piperazinyl)-Quinoline Derivatives and Their Use in the Treatment of Cns Disorders PMP22, AQP4, SLC18A2 HTR6 139/4885HTR2A 82/4885HTR1A 99/4885

“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.