SCHEMBL6749008

SCHEMBL6749008

O=S(=O)(O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
SIGMAR1 Q99720 4/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
THRB P10828 1/20 0.60
ACHE P22303 2/20 0.59
BACE1 P56817 2/20 0.59
BCHE P06276 1/20 0.59
DRD4 P21917 2/20 0.57
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2A P28223 1/20 0.56
OPRK1 P41145 1/20 0.56
DPP7 Q9UHL4 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 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
SCHEMBL6335815 0.86 HTT (0.67) HTTSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL6749288 0.85 HTT (0.65) HTTSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL6752179 0.85 HTT (0.65) HTTSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL6965515 0.84 HTT (0.85) HTTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13102870 0.81 HTT (0.61) HTTSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL2098424 0.80 ALDH1A1 (0.70) HTTSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL13102942 0.80 HTT (0.60) HTTSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL5744277 0.80 NPC1 (0.59) HTTSIGMAR1ALDH1A1SMN1; SMN2ACHE
SCHEMBL10231867 0.79 SIGMAR1 (0.73) SIGMAR1
SCHEMBL2886054 0.79 HTT (0.58) HTTSIGMAR1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
WO-2003082263-A1 SULFAMIC ACIDS AS INHIBITORS OF HUMAN CYTOPLASMIC PROTEIN TYROSINE PHOSPHATASES ONTOGEN CORPORATION (US) 2003-10-09 WO disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 HTT 2395/4885SIGMAR1 1579/4885KMT2A 3395/4885

“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.