SCHEMBL98426

SCHEMBL98426

OC1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.66
TMEM97 Q5BJF2 2/20 0.66
SIGMAR1 Q99720 2/20 0.66
HTR1A P08908 1/20 0.57
HTR7 P34969 1/20 0.57
KCNA5 P22460 1/20 0.56
KDM1A O60341 1/20 0.56
KCNA3 P22001 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HRH2 P25021 1/20 0.55
HRH1 P35367 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55

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
SCHEMBL5544791 0.90 LTA4H (0.80) LTA4HTMEM97SIGMAR1HTR1AHTR7
SCHEMBL6398998 0.90 LTA4H (0.80) LTA4HTMEM97SIGMAR1HTR1AHTR7
SCHEMBL6278104 0.90 LTA4H (0.80) LTA4HTMEM97SIGMAR1HTR1AHTR7
SCHEMBL7142406 0.88 LTA4H (0.85) LTA4H
SCHEMBL4689783 0.85 ESR1 (0.58) LTA4HSIGMAR1RAB9AHRH2HRH1
SCHEMBL6943925 0.85 TMEM97 (0.68) LTA4HTMEM97SIGMAR1HTR1AHTR7
SCHEMBL8109834 0.85 TMEM97 (0.68) LTA4HTMEM97SIGMAR1HTR1AHTR7
SCHEMBL22804663 0.84 LTA4H (0.63) LTA4HSIGMAR1HTR1AHTR7KDM1A
SCHEMBL12153404 0.84 LTA4H (0.63) LTA4HSIGMAR1RAB9AHRH2HRH1
SCHEMBL14570558 0.84 HRH3 (0.66) LTA4HSIGMAR1KCNA5KDM1ARAB9A

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-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
CN-102459231-B Quaternary ammonium salt compound TEIJIN PHARMA LTD 2015-04-22 CN disclosed
CN-102459231-A Quaternary ammonium salt compound TEIJIN PHARMA LTD 2012-05-16 CN disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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 (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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 LTA4H 2615/4885TMEM97 56/4885SIGMAR1 78/4885

“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.