SCHEMBL4544661

SCHEMBL4544661

CN(C)C1CN(C(C)(C)C)Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.37
SLC6A4 P31645 10/20 0.37
SLC6A3 Q01959 7/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL16487974 0.78 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL17545825 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL10132278 0.74 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL18791605 0.71 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL861946 0.70 MAOA (0.44) MAOAMAOB
SCHEMBL25121801 0.70 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL31572064 0.66 MAOA (0.60) MAOAMAOB
SCHEMBL5969857 0.66 MAOA (0.60) MAOAMAOB
SCHEMBL16356395 0.66 MAOA (0.60) MAOAMAOB
SCHEMBL17571693 0.66 MAOA (0.60) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 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-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 SLC6A2 1715/4885SLC6A4 1669/4885SLC6A3 1442/4885

“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.