SCHEMBL622277

SCHEMBL622277

COc1ccc2ncc(SCCN3CCC(N(C)Cc4ccc5c(c4)OCCO5)CC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.46
SLC2A1 P11166 3/20 0.46
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
MCHR1 Q99705 1/20 0.38

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
SCHEMBL620662 0.91 KCNH2 (0.45) KCNH2SLC2A1HTR1ASLC6A4MCHR1
SCHEMBL622100 0.86 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL619625 0.86 KCNH2 (0.45) KCNH2SLC2A1HTR1ASLC6A4MCHR1
SCHEMBL622275 0.84 KCNH2 (0.49) KCNH2SLC2A1HTR1ASLC6A4MCHR1
SCHEMBL622274 0.84 KCNH2 (0.45) KCNH2SLC2A1HTR1ASLC6A4MCHR1
SCHEMBL621755 0.79 HPGDS (0.46) KCNH2SLC2A1
SCHEMBL620404 0.77 FGFR3 (0.47) KCNH2
SCHEMBL621994 0.75 FGFR1 (0.41) KCNH2SLC2A1
SCHEMBL621993 0.75 FGFR1 (0.39) KCNH2HTR1ASLC6A4
SCHEMBL3707718 0.73 KMT2A (0.47) KCNH2

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 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

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.