SCHEMBL3365989

SCHEMBL3365989

CN(c1ccc(OCCCCCCN2CCSCC2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.51
KCNH2 Q12809 2/20 0.51
EPHX2 P34913 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
SLC6A4 P31645 1/20 0.42
LTA4H P09960 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL3368163 0.91 HRH3 (0.58) HRH3KCNH2PSEN1PSEN2APH1B
SCHEMBL3368367 0.90 HRH3 (0.58) HRH3KCNH2PSEN1PSEN2APH1B
SCHEMBL3368607 0.90 HRH3 (0.50) HRH3KCNH2L3MBTL1PSEN1PSEN2
SCHEMBL3368276 0.90 HRH3 (0.58) HRH3KCNH2PSEN1PSEN2APH1B
SCHEMBL3365553 0.89 LMNA (0.52) HRH3KCNH2L3MBTL1
SCHEMBL3369730 0.89 EPHX2 (0.56) HRH3KCNH2EPHX2HTR2A
SCHEMBL3362859 0.87 L3MBTL1 (0.49) HRH3KCNH2L3MBTL1PSEN1PSEN2
SCHEMBL3364865 0.87 HRH3 (0.46) HRH3KCNH2EPHX2L3MBTL1PSEN1
SCHEMBL3369182 0.87 HRH3 (0.51) HRH3
SCHEMBL3366017 0.87 HRH3 (0.49) HRH3KCNH2HTR2AHTR2CMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
CN-1443179-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2003-09-17 CN disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 HRH3 3372/4885KCNH2 1111/4885EPHX2 2689/4885

“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.