SCHEMBL915459

SCHEMBL915459

C[C@@H]1CN(Cc2ccccc2)CC=C1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
DRD1 P21728 4/20 0.39
DRD4 P21917 4/20 0.39
DRD5 P21918 4/20 0.39
DRD3 P35462 4/20 0.39
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2762077 1.00 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2762076 1.00 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL504734 0.78 PDK1 (0.47) NPSR1SMN1; SMN2
SCHEMBL7881790 0.76 DRD2 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16064240 0.76 SIGMAR1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4625635 0.75 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8672493 0.73 HTR6 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1367831 0.73 TRPV1 (0.52)
SCHEMBL1367830 0.73 TRPV1 (0.52)
SCHEMBL505204 0.73 DRD2 (0.32) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DRD2 928/4885DRD1 1702/4885DRD4 1829/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DRD2 914/4885DRD1 1651/4885DRD4 1813/4885

“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.