SCHEMBL1638642

SCHEMBL1638642

CCCN(CCC)CCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
IDO1 P14902 1/20 0.39
EPHX1 P07099 1/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
BCHE P06276 1/20 0.36
CNR2 P34972 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL31421366 0.89 TDP1 (0.45) CA12CA1CA7CA14TDP1
SCHEMBL23606486 0.89 TDP1 (0.47) CA12CA1CA7CA14TDP1
SCHEMBL25529335 0.88 TDP1 (0.44) CA12CA1CA7CA14TDP1
SCHEMBL23606520 0.88 TDP1 (0.46) CA12CA1CA7CA14TDP1
SCHEMBL15382094 0.88 TDP1 (0.46) CA12CA1CA7CA14TDP1
SCHEMBL26839721 0.86 TDP1 (0.36) CA12CA1CA7CA14TDP1
SCHEMBL11346435 0.85 CA12 (0.50) CA12CA1CA7CA14TDP1
SCHEMBL15739514 0.85 TDP1 (0.42) CA12CA1TDP1MEN1GAA
SCHEMBL24620050 0.85 MEN1 (0.39) CA12CA1CA7CA14TDP1
SCHEMBL24620144 0.85 TDP1 (0.38) CA12CA1CA7CA14TDP1

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
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (2 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 CA12 1577/4885CA1 3179/4885CA7 3707/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CA12 2933/4885CA1 4044/4885CA7 4286/4885

“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.