SCHEMBL1474769

SCHEMBL1474769

Cc1ccc(S(=O)(=O)OC[C@@H]2CN(Cc3ccccc3)CC[C@@H]2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
HTR6 P50406 1/20 0.48
BCHE P06276 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
SPHK1 Q9NYA1 2/20 0.45
SPHK2 Q9NRA0 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
POLB P06746 2/20 0.43
HTR2A P28223 1/20 0.43
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1476146 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL1474768 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL1474765 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL1476143 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL8540877 0.84 HTR6 (0.54) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL8540875 0.84 HTR6 (0.54) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL7244393 0.82 HTR6 (0.44) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL7244387 0.82 HTR6 (0.44) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL7244391 0.82 HTR6 (0.44) SMN1; SMN2HTR6BCHEALDH1A1LMNA
SCHEMBL14166152 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HTR6ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 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 (3 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SMN1; SMN2 1451/4885HTR6 821/4885BCHE 3815/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 SMN1; SMN2 1325/4885HTR6 638/4885BCHE 4374/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SMN1; SMN2 1451/4885HTR6 821/4885BCHE 3815/4885

“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.