SCHEMBL622654

SCHEMBL622654

COc1ccc2ncc(OCCN3CCC(N(C)Cc4ccc5c(c4)NC(=O)CS5)CC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
F10 P00742 1/20 0.35
HTR1A P08908 4/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NOS2 P35228 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
DRD4 P21917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33

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
SCHEMBL620796 0.86 KCNH2 (0.44)
SCHEMBL1739334 0.85 CXCR4 (0.38) MAOBMAOAHTR1ADRD2HTR1D
SCHEMBL620405 0.81 HPGD (0.47) DRD4ALDH1A1
SCHEMBL619625 0.79 KCNH2 (0.45) HTR1AFGFR1FGFR2FGFR4FGFR3
SCHEMBL619401 0.78 KCNH2 (0.38) MAOBMAOA
SCHEMBL620130 0.77 HPGDS (0.39)
SCHEMBL622117 0.76 HPGD (0.48) ALDH1A1HTT
SCHEMBL622311 0.76 GSK3B (0.42)
SCHEMBL621992 0.76 KMT2A (0.42) ALDH1A1HTT
SCHEMBL622262 0.76 KMT2A (0.42) ALDH1A1HTT

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 MAOB 1783/4885MAOA 2015/4885F10 1741/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAOB 2210/4885MAOA 2662/4885F10 1597/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAOB 2210/4885MAOA 2662/4885F10 1597/4885

“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.