SCHEMBL4608571

SCHEMBL4608571

O=C1N(c2ccc(F)cc2)CC(c2ccccc2)N1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.40
MAPT P10636 3/20 0.39
HTR6 P50406 2/20 0.38
SLC18A3 Q16572 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CCR5 P51681 2/20 0.36
NSD3 Q9BZ95 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
KCNH2 Q12809 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
SCHEMBL4608568 1.00 FADS1 (0.40) FADS1MAPTHTR6SLC18A3SIGMAR1
SCHEMBL4611367 0.87 FADS1 (0.42) FADS1HTR6SIGMAR1CCR5DRD2
SCHEMBL4596720 0.83 RAB9A (0.44) FADS1MAPTSLC18A3SIGMAR1CCR5
SCHEMBL4597271 0.80 DRD2 (0.45) HTR6SIGMAR1CCR5DRD2DRD3
SCHEMBL5573927 0.79 CCR5 (0.41) MAPTHTR6SLC18A3SIGMAR1CCR5
SCHEMBL5573930 0.79 CCR5 (0.41) MAPTHTR6SLC18A3SIGMAR1CCR5
SCHEMBL5575428 0.79 MEN1 (0.49) MAPTMEN1KMT2A
SCHEMBL5575439 0.79 MEN1 (0.49) MAPTMEN1KMT2A
SCHEMBL5575431 0.77 ALDH1A1 (0.40) MAPTHTR6SLC18A3SIGMAR1CCR5
SCHEMBL5575418 0.77 ALDH1A1 (0.40) MAPTHTR6SLC18A3SIGMAR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
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 FADS1 4055/4885MAPT 3432/4885HTR6 1852/4885

“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.