SCHEMBL4242252

SCHEMBL4242252

CN(Cc1ccccc1)S(=O)(=O)c1ccc(N(Cc2cccc(C#N)c2)C2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.55
SLC6A4 P31645 9/20 0.55
SLC6A3 Q01959 9/20 0.55
HTR2C P28335 1/20 0.49
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
NOS2 P35228 1/20 0.45
HSD11B1 P28845 1/20 0.44
CCR5 P51681 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ADRB2 P07550 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4244523 0.83 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL4242082 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4682986 0.79 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3NOS2CCR5
SCHEMBL4240060 0.78 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3NOS2CCR5
SCHEMBL4925756 0.76 HTR2C (0.53) HTR2CHSD11B1ALDH1A1LMNAMEN1
SCHEMBL4245108 0.74 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3NOS2CCR5
SCHEMBL4241523 0.74 CCR5 (0.52) CCR5KCNH2
SCHEMBL4242202 0.73 CCR5 (0.51) SLC6A2SLC6A4SLC6A3CCR5KCNH2
SCHEMBL4309799 0.72 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3NOS2
SCHEMBL312403 0.71 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3NOS2KCNH2

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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 SLC6A2 3198/4885SLC6A4 3084/4885SLC6A3 2527/4885

“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.