SCHEMBL4598546

SCHEMBL4598546

CC(C)(C)N1CC(c2cccc(Cl)c2)N(C2CCNCC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CCR5 P51681 2/20 0.41
RIPK1 Q13546 1/20 0.39
DRD2 P14416 1/20 0.38
HTR6 P50406 2/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MDM2 Q00987 3/20 0.35
TP53 P04637 2/20 0.35
PDE5A O76074 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 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
SCHEMBL14571188 0.86 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTSHRCCR5
SCHEMBL4610216 0.85 CCR5 (0.40) ALDH1A1CCR5RIPK1MDM2TP53
SCHEMBL5573859 0.85 CCR5 (0.44) HPGDCCR5RIPK1HTR6SIGMAR1
SCHEMBL4597902 0.85 CCR5 (0.44) HPGDCCR5RIPK1HTR6SIGMAR1
SCHEMBL5572456 0.82 STS (0.48) MAPTCCR5TP53THRB
SCHEMBL4610004 0.81 CCR5 (0.50) CCR5
SCHEMBL4609996 0.81 CCR5 (0.50) CCR5
SCHEMBL5575923 0.81 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTSHRCCR5
SCHEMBL4597271 0.81 DRD2 (0.45) CCR5DRD2HTR6TP53HTR3E
SCHEMBL5575359 0.80 CCR5 (0.43) ALDH1A1MAPTHPGDTSHRCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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 3432/4885HPGD 1736/4885

“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.