SCHEMBL3364902

SCHEMBL3364902

CC(C)N(c1ccc(OCCCCN(C)C)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.55
CACNA1H O95180 5/20 0.55
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 2/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ESRRG P62508 1/20 0.39

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
SCHEMBL3365881 0.87 CACNA1B (0.61) CACNA1BCACNA1HKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3366991 0.86 CACNA1B (0.60) CACNA1BCACNA1HKDM4ESMN1; SMN2PSEN1
SCHEMBL3365343 0.84 CACNA1B (0.55) CACNA1BCACNA1HKDM4ESMN1; SMN2HSD11B1
SCHEMBL3366887 0.81 CACNA1H (0.49) CACNA1BCACNA1HPSEN1PSEN2APH1B
SCHEMBL3369004 0.79 CACNA1H (0.47) CACNA1BCACNA1HPSEN1PSEN2APH1B
SCHEMBL3365014 0.78 LSS (0.53) CACNA1BCACNA1H
SCHEMBL3365294 0.77 CACNA1B (0.87) CACNA1BCACNA1HSMN1; SMN2HRH3
SCHEMBL3368206 0.77 CACNA1H (0.49) CACNA1BCACNA1HPSEN1PSEN2APH1B
SCHEMBL3365715 0.77 LSS (0.54) CACNA1BCACNA1HPSEN1PSEN2APH1B
SCHEMBL3367913 0.76 CACNA1H (0.48) CACNA1BCACNA1HPSEN1PSEN2APH1B

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-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
CN-1208329-C Novel aniline derivative HOFFMANN LA ROCHE (CH) 2005-06-29 CN 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 CACNA1B 2736/4885CACNA1H 1926/4885KDM4E 3964/4885

“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.