SCHEMBL1638183

SCHEMBL1638183

CCCN(CCC)CCCCN(CC(=O)OCC)Cc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPID Q08752 3/20 0.39
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPIG Q13427 1/20 0.39
NAMPT P43490 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
AKT1 P31749 1/20 0.38
CTSK P43235 1/20 0.37
RORC P51449 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1638678 0.87 L3MBTL1 (0.43) DRD2L3MBTL1NAMPTCA1CA2
SCHEMBL1638619 0.84 L3MBTL1 (0.40) DRD2L3MBTL1NAMPTCA1CA2
SCHEMBL1206601 0.84 NAMPT (0.43) DRD2L3MBTL1NAMPTCA1CA2
SCHEMBL1636536 0.83 DRD2 (0.40) DRD2L3MBTL1NAMPTCA1CA2
SCHEMBL1637283 0.82 DRD2 (0.40) DRD2L3MBTL1NAMPTCA1CA2
SCHEMBL1638611 0.81 CA1 (0.43) DRD2L3MBTL1CA1CA2CTSK
SCHEMBL1638182 0.80 PPARA (0.35) DRD2
SCHEMBL1206266 0.80 CXCR4 (0.48) DRD2L3MBTL1NAMPTCA1CA2
SCHEMBL1637610 0.80 NAMPT (0.46) L3MBTL1NAMPTCA1CA2AKT1
SCHEMBL1638691 0.79 TDP1 (0.48) DRD2CA1CA2CTSKGAA

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 DRD2 175/4885L3MBTL1 884/4885PPID 4349/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 DRD2 257/4885L3MBTL1 1179/4885PPID 4394/4885

“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.