SCHEMBL5575418

SCHEMBL5575418

O=C1N(c2ccccn2)C[C@@H](c2ccccc2)N1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CCR5 P51681 4/20 0.40
PLD1 Q13393 1/20 0.40
RIPK1 Q13546 1/20 0.39
CRBN Q96SW2 1/20 0.39
NSD3 Q9BZ95 1/20 0.38
HTR6 P50406 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 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
SCHEMBL5575431 1.00 ALDH1A1 (0.40) ALDH1A1MAPTPOLBHTTCCR5
SCHEMBL5573930 0.88 CCR5 (0.41) ALDH1A1MAPTCCR5RIPK1NSD3
SCHEMBL5573927 0.88 CCR5 (0.41) ALDH1A1MAPTCCR5RIPK1NSD3
SCHEMBL5576048 0.81 L3MBTL1 (0.44) ALDH1A1MAPTPOLBCCR5NSD3
SCHEMBL5576053 0.81 L3MBTL1 (0.44) ALDH1A1MAPTPOLBCCR5NSD3
SCHEMBL5576072 0.79 GPR119 (0.58) MAPTPKM
SCHEMBL4608568 0.77 FADS1 (0.40) MAPTCCR5NSD3HTR6MEN1
SCHEMBL4608571 0.77 FADS1 (0.40) MAPTCCR5NSD3HTR6MEN1
SCHEMBL4598041 0.76 SLC18A3 (0.39) HTTCCR5NSD3HTR6HPGD
SCHEMBL27747216 0.76 SLC18A3 (0.39) HTTCCR5NSD3HTR6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ALDH1A1 3484/4885MAPT 3432/4885POLB 3745/4885

“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.