SCHEMBL1638530

SCHEMBL1638530

CCCN(CCC)CCCCNC(=O)c1cn2cc(C#N)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 1/20 0.44
APP P05067 1/20 0.42
ACKR3 P25106 1/20 0.42
ROCK2 O75116 3/20 0.42
USP30 Q70CQ3 2/20 0.41
EGLN1 Q9GZT9 3/20 0.41
SCN9A Q15858 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL1638245 0.74 METTL3 (0.42) METTL3DRD2DRD3DRD4EGLN1
SCHEMBL1638247 0.73 METTL3 (0.41) METTL3DRD2DRD3DRD4ACKR3
SCHEMBL24247758 0.73 APP (0.48) METTL3APPROCK2USP30EGLN1
SCHEMBL21947017 0.71 APP (0.51) METTL3APPROCK2USP30EGLN1
SCHEMBL1638034 0.71 KDM4E (0.61) METTL3APP
SCHEMBL12416774 0.70 CXCR4 (0.59) METTL3DRD2DRD3DRD4ACKR3
SCHEMBL1638319 0.70 MGLL (0.48) DRD2DRD3DRD4APPSCN9A
SCHEMBL1636581 0.69 CNR1 (0.52) DRD2DRD3DRD4
SCHEMBL3367812 0.69 NPC1 (0.64) METTL3ROCK2USP30EGLN1
SCHEMBL2445483 0.69 ACKR3 (0.50) ACKR3EGLN1

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 METTL3 784/4885DRD2 175/4885DRD3 283/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 METTL3 2082/4885DRD2 257/4885DRD3 435/4885

“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.