SCHEMBL6281759

SCHEMBL6281759

CCCCCCCNC(=O)CBr

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.67
NAAA Q02083 1/20 0.62
EPHX1 P07099 8/20 0.61
FAAH O00519 4/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52

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
SCHEMBL16582460 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5543839 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL14621023 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL23567378 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL6120008 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL23567381 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5327335 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5331194 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL462832 0.98 CASP2 (0.63) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL3310816 0.91

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
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
CN-1118457-C Cyclic diamine compounds and medicine contg. same KOWA CO (JP) 2003-08-20 CN disclosed
CN-1258283-A Cyclic diamine compounds and medicine contg. same KOWA CO (JP) 2000-06-28 CN disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 EP disclosed
US-4649218-A ANTIDEPRESSANTS, ION SELECTIVE ELECTRODES, BATTERIES YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1987-03-10 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 (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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 CASP2 3426/4885NAAA 240/4885EPHX1 2367/4885

“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.