SCHEMBL4597078

SCHEMBL4597078

O=C1N(C2CCOCC2)CC(c2ccsc2)N1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.41
CCR4 P51679 2/20 0.38
KCNH2 Q12809 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL5575468 1.00 CCR5 (0.41) CCR5CCR4KCNH2GABRA1GABRG2
SCHEMBL4609997 0.90 CCR5 (0.49) CCR5
SCHEMBL4610002 0.90 CCR5 (0.49) CCR5
SCHEMBL3754248 0.83 CCR5 (0.53) CCR5CCR4KCNH2
SCHEMBL3754244 0.83 CCR5 (0.53) CCR5CCR4KCNH2
SCHEMBL4652432 0.78 CCR5 (0.52) CCR5CCR4KCNH2
SCHEMBL4597966 0.78 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4652438 0.78 CCR5 (0.52) CCR5CCR4KCNH2
SCHEMBL4597969 0.78 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4596594 0.78 CCR5 (0.42) CCR5CCR4KCNH2

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 CCR5 1/4885CCR4 2/4885KCNH2 4762/4885

“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.