SCHEMBL6961558

SCHEMBL6961558

C[C@@H]1CN(CCN2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
CTSK P43235 2/20 0.50
CCR5 P51681 1/20 0.48
DRD2 P14416 7/20 0.44
DRD3 P35462 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD11B1 P28845 2/20 0.43
CYP2C9 P11712 1/20 0.43
BTK Q06187 1/20 0.41
EPHX1 P07099 2/20 0.39
USP14 P54578 1/20 0.39

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
SCHEMBL2761666 1.00 KCNA3 (0.52) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL13593472 1.00 KCNA3 (0.52) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL2761667 1.00 KCNA3 (0.52) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL2762158 0.88 KCNA3 (0.51) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL913704 0.86 KCNA3 (0.56) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL913264 0.86 KCNA3 (0.56) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL6961564 0.85 KCNA3 (0.48) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL26665267 0.85 KCNA3 (0.57) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL915957 0.83 KCNA3 (0.56) KCNA3CTSKCCR5DRD2DRD3
SCHEMBL916321 0.82 KCNA3 (0.50) KCNA3CTSKCCR5DRD2DRD3

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 8 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-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-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
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US 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 KCNA3 2250/4885CTSK 1384/4885CCR5 5/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KCNA3 2172/4885CTSK 1405/4885CCR5 5/4885

“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.