SCHEMBL619622

SCHEMBL619622

COc1ccc2ncc(OCCN3CCC(C(N)Cc4ccc5c(c4)OCCO5)CC3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.45
SLC2A1 P11166 2/20 0.44
HTR1A P08908 3/20 0.42
SLC6A4 P31645 3/20 0.42
MCHR1 Q99705 1/20 0.38
PIR O00625 1/20 0.36
BRAF P15056 1/20 0.36
GSK3B P49841 1/20 0.36
HSF1 Q00613 1/20 0.36

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
SCHEMBL622274 0.86 KCNH2 (0.45) KCNH2SLC2A1HTR1ASLC6A4MCHR1
SCHEMBL619625 0.83 KCNH2 (0.45) KCNH2SLC2A1HTR1ASLC6A4MCHR1
SCHEMBL619623 0.82 KCNH2 (0.50) KCNH2SLC2A1HTR1ASLC6A4MCHR1
SCHEMBL16566558 0.79 KCNH2 (0.59) KCNH2SLC2A1MCHR1
SCHEMBL622368 0.78 FGFR3 (0.49)
SCHEMBL15662902 0.77 FGFR1 (0.41) HTR1ASLC6A4
SCHEMBL32667634 0.76 KCNH2 (0.62) KCNH2SLC2A1
SCHEMBL15662774 0.74 KDR (0.40)
SCHEMBL15662900 0.73 LTA4H (0.49) MCHR1
SCHEMBL620490 0.73 CYP2D6 (0.40) KCNH2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US claimed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US claimed
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 KCNH2 488/4885SLC2A1 3075/4885HTR1A 2237/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885SLC2A1 4405/4885HTR1A 3111/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885SLC2A1 4405/4885HTR1A 3111/4885

“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.