SCHEMBL12401074

SCHEMBL12401074

CC(C)(C)C(=O)CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.60
BCHE P06276 2/20 0.59
CXCR4 P61073 1/20 0.57
CCR3 P51677 1/20 0.56

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
SCHEMBL4505679 0.84 ACHE (0.63) ACHEBCHECXCR4CCR3
SCHEMBL6747206 0.83 CXCR4 (0.65) ACHEBCHECXCR4CCR3
SCHEMBL12401142 0.82 CXCR4 (0.53) ACHECXCR4
Hydrochloric Acid SCHEMBL9537230 0.82 BCHE (0.63) ACHEBCHECXCR4CCR3
SCHEMBL4854037 0.81 GAA (0.64) ACHEBCHECXCR4CCR3
Hydrochloric Acid SCHEMBL8825453 0.81 BCHE (0.62) ACHEBCHECXCR4CCR3
SCHEMBL15338755 0.81 CXCR4 (0.61) ACHEBCHECXCR4CCR3
SCHEMBL2980930 0.80 DRD2 (0.67) ACHEBCHECXCR4CCR3
SCHEMBL7501904 0.79 DRD2 (0.63) ACHEBCHECXCR4CCR3
Hydrochloric Acid SCHEMBL9538343 0.79 GAA (0.63) ACHEBCHECXCR4CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (4 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 ACHE 2639/4885BCHE 1362/4885CXCR4 3814/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ACHE 2639/4885BCHE 1362/4885CXCR4 3814/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 ACHE 2815/4885BCHE 1477/4885CXCR4 2147/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 ACHE 3189/4885BCHE 1703/4885CXCR4 3634/4885

“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.