SCHEMBL620490

SCHEMBL620490

COc1ccc2ncc(OCCCN3CCC(CN)CC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
KCNH2 Q12809 2/20 0.40
SLC6A4 P31645 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A2 P23975 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
KDR P35968 2/20 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
SCHEMBL15662902 0.95 FGFR1 (0.41) HRH3SLC6A4FGFR1FGFR2FGFR4
SCHEMBL3804476 0.94 FGFR3 (0.41) CYP2D6HRH3SLC6A4FGFR1FGFR2
SCHEMBL15662774 0.89 KDR (0.40) HRH3FGFR1FGFR2FGFR4FGFR3
SCHEMBL15661892 0.85 TLR7 (0.52) HRH3SLC6A4FGFR1FGFR2FGFR4
SCHEMBL622368 0.85 FGFR3 (0.49) HRH3FGFR1FGFR2FGFR4FGFR3
SCHEMBL15661703 0.83 FGFR3 (0.42) HRH3KCNH2SLC6A4FGFR1FGFR2
SCHEMBL15661891 0.81 FGFR1 (0.49) HRH3FGFR1FGFR2FGFR4FGFR3
SCHEMBL621993 0.80 FGFR1 (0.39) CYP2D6KCNH2SLC6A4DRD2DRD4
SCHEMBL15662900 0.80 LTA4H (0.49) HRH3FGFR1FGFR2FGFR4FGFR3
SCHEMBL15662779 0.78 FGFR3 (0.40) DRD2DRD3FGFR1FGFR2FGFR4

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 CYP2D6 54/4885HRH3 217/4885KCNH2 488/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH CYP2D6 235/4885HRH3 146/4885KCNH2 584/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH CYP2D6 235/4885HRH3 146/4885KCNH2 584/4885

“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.