SCHEMBL7565801

SCHEMBL7565801

CN(C)c1ccc(C2(CN[C]=O)CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.51
ACAT1 P24752 1/20 0.51
SOAT1 P35610 1/20 0.51
SLC6A4 P31645 17/20 0.43
SLC6A3 Q01959 16/20 0.43
SLC6A2 P23975 10/20 0.43
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL7573036 0.81 SOAT2 (0.51) SOAT2ACAT1SOAT1SLC6A4SLC6A3
SCHEMBL28093470 0.78 SOAT2 (0.60) SOAT2ACAT1SOAT1
Hydrochloric Acid SCHEMBL28177156 0.77 SOAT2 (0.59) SOAT2ACAT1SOAT1
SCHEMBL7508542 0.75 DPP4 (0.58) SLC6A4SLC6A3SLC6A2
Nevanimibe SCHEMBL1119314 0.69 SOAT1 (1.00) SOAT2ACAT1SOAT1
SCHEMBL11161896 0.68 ALDH1A1 (0.56) SLC6A4SLC6A3SLC6A2HDAC3HDAC1
SCHEMBL1119316 0.68 SOAT2 (0.69) SOAT2ACAT1SOAT1
SCHEMBL2386424 0.67 LMNA (0.49)
SCHEMBL3306927 0.67 ALDH1A1 (0.50) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL7862580 0.66 ALDH1A1 (0.48) SOAT2ACAT1SOAT1HDAC3HDAC1

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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US claimed
CN-1370526-A Treating method of nuclear factor-KB mediated diseases and dysfuction WANER LONGBER CO (US) 2002-09-25 CN claimed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US disclosed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders NFKBIA, IKBKB, RELA SOAT2 324/4885ACAT1 231/4885SOAT1 704/4885

“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.