SCHEMBL4240176

SCHEMBL4240176

CC(CCN)N1CCC(N(Cc2cc(C#N)ccc2F)c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.51
SLC6A4 P31645 12/20 0.51
SLC6A3 Q01959 12/20 0.51
PGR P06401 3/20 0.40
CCR5 P51681 4/20 0.40
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37

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
SCHEMBL4240170 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3PGRCCR5
SCHEMBL4247008 0.88 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3PGRCCR5
SCHEMBL4240473 0.84 CCR5 (0.46) PGRCCR5CYP2C9CYP2D6
SCHEMBL4235954 0.83 CCR5 (0.41) PGRCCR5CYP2C9CYP2D6
SCHEMBL13931565 0.83 CCR5 (0.52) CCR5
SCHEMBL4249160 0.82 CCR5 (0.51) CCR5
SCHEMBL4238957 0.81 CCR5 (0.49) PGRCCR5CYP2C9CYP2D6
SCHEMBL4248663 0.81 CCR5 (0.48) PGRCCR5CYP2C9CYP2D6
SCHEMBL4245251 0.81 CCR5 (0.48) SLC6A2SLC6A4SLC6A3CCR5
SCHEMBL4244227 0.79 CCR5 (0.51) CCR5

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 10 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 claimed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed
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.