SCHEMBL1638207

SCHEMBL1638207

CCCN(CCC)CCCCN(Cc1ccc(CN(Cc2nccn2C)C(=O)OC(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
TSHR P16473 1/20 0.44
CNR2 P34972 7/20 0.42
CXCR4 P61073 2/20 0.41
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.37
POLB P06746 1/20 0.37
F2 P00734 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL1638298 0.88 CXCR4 (0.45) KCNA5CXCR4HDAC3HDAC1HDAC2
SCHEMBL1638167 0.84 CXCR4 (0.47) KCNA5CXCR4HDAC3HDAC1HDAC2
SCHEMBL1638534 0.82 CXCR4 (0.45) KCNA5CXCR4HDAC3HDAC1HDAC2
SCHEMBL1637497 0.81 CXCR4 (0.50) KCNA5CXCR4HDAC3HDAC1HDAC2
SCHEMBL1638369 0.79 CXCR4 (0.68) KCNA5TSHRCNR2CXCR4MAPT
SCHEMBL1637307 0.76 CXCR4 (0.68) CXCR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL1638209 0.76 CNR2 (0.42) CNR2TAS2R14POLBF2
SCHEMBL1636495 0.75 HDAC3 (0.40) KCNA5TSHRCXCR4POLBHDAC3
SCHEMBL1206671 0.74 L3MBTL1 (0.40) CXCR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL1204948 0.72 HDAC3 (0.39) CXCR4HDAC3HDAC1HDAC2NCOR2

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 KCNA5 1359/4885TSHR 1111/4885CNR2 274/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 KCNA5 1575/4885TSHR 1353/4885CNR2 274/4885

“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.