SCHEMBL622380

SCHEMBL622380

COc1cccc2ncc(OCCN3CCC(NC(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
DRD2 P14416 7/20 0.42
HTR7 P34969 2/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
CCR5 P51681 1/20 0.40
ATM Q13315 1/20 0.40
FGFR4 P22455 1/20 0.40
HTR1A P08908 1/20 0.40
HTR6 P50406 1/20 0.40
PARP1 P09874 1/20 0.40
LTA4H P09960 1/20 0.40
SSTR4 P31391 1/20 0.40

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
SCHEMBL620541 0.83 KCNH2 (0.45) KCNA3CKS1BSKP1SKP2ATM
SCHEMBL622206 0.82 PIK3CA (0.45) KCNA3CKS1BSKP1SKP2ATM
SCHEMBL15661283 0.80 LTA4H (0.45) DRD2HTR7ADRA1AADRA1BDRD3
SCHEMBL620506 0.80 KCNA3 (0.46) KCNA3CKS1BSKP1SKP2ADRA1A
SCHEMBL621906 0.78 KCNA3 (0.44) KCNA3CKS1BSKP1SKP2DRD2
SCHEMBL14610728 0.74 KCNH2 (0.66) KCNA3
SCHEMBL31623742 0.74 KCNH2 (0.66) KCNA3
SCHEMBL17861339 0.73 CKS1B (0.50) CKS1BSKP1SKP2PARP1
SCHEMBL10313860 0.73 KCNH2 (0.51) KCNA3CKS1BSKP1SKP2ATM
SCHEMBL8302728 0.72 TSHR (0.48) KCNA3DRD2HTR7HTR1AHTR6

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 KCNA3 546/4885CKS1B 1787/4885SKP1 4380/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNA3 643/4885CKS1B 699/4885SKP1 4119/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNA3 643/4885CKS1B 699/4885SKP1 4119/4885

“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.