SCHEMBL620002

SCHEMBL620002

CC(C)(C)OC(=O)NC1CCN(CC(O)C2CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
KCNA3 P22001 1/20 0.48
DRD2 P14416 4/20 0.44
CCR5 P51681 1/20 0.43
BTK Q06187 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
EPHX1 P07099 2/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
DRD3 P35462 1/20 0.40
USP14 P54578 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 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
SCHEMBL2226210 0.87 CTSK (0.50) CTSKKCNA3DRD2CCR5BTK
SCHEMBL12228102 0.86 CTSK (0.51) CTSKKCNA3DRD2CCR5BTK
SCHEMBL1560161 0.84 CTSK (0.50) CTSKKCNA3DRD2CCR5BTK
SCHEMBL2223734 0.83 CTSK (0.49) CTSKKCNA3DRD2CCR5BTK
SCHEMBL621716 0.83 CTSK (0.46) CTSKKCNA3DRD2CCR5BTK
SCHEMBL22961611 0.81 KDM1A (0.46) CTSKKCNA3DRD2BTKCA1
SCHEMBL1422281 0.81 KDM1A (0.46) CTSKKCNA3DRD2BTKCA1
SCHEMBL3965693 0.81 CTSK (0.55) CTSKKCNA3DRD2CCR5BTK
SCHEMBL27460572 0.81 CTSK (0.55) CTSKKCNA3DRD2CCR5BTK
SCHEMBL2225599 0.80 CTSK (0.55) CTSKKCNA3DRD2CCR5BTK

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-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 CTSK 2282/4885KCNA3 546/4885DRD2 736/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH CTSK 2263/4885KCNA3 643/4885DRD2 687/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH CTSK 2263/4885KCNA3 643/4885DRD2 687/4885

“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.