SCHEMBL622308

SCHEMBL622308

OCC1CCC(NCc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.44
NPY5R Q15761 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL622306 1.00 KCNH2 (0.49) KCNH2KDM1AMAOAMAOBCYP3A4
SCHEMBL700617 0.90 KDM1A (0.57) KCNH2KDM1AMAOAMAOBCYP3A4
SCHEMBL14020819 0.83 KDM1A (0.51) KCNH2KDM1AMAOAMAOBCYP3A4
Hydrochloric Acid SCHEMBL11689115 0.81 HRH3 (0.54) KCNH2KDM1AMAOAMAOBCYP3A4
SCHEMBL5261735 0.81 LTA4H (0.57) KCNH2KDM1AMAOAMAOBCYP3A4
SCHEMBL5261729 0.81 LTA4H (0.57) KCNH2KDM1AMAOAMAOBCYP3A4
SCHEMBL108056 0.81 CYP3A4 (0.64) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL2472951 0.81 CYP3A4 (0.64) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL3689421 0.78 CYP3A4 (0.47) KCNH2KDM1AMAOAMAOBCYP3A4
SCHEMBL622080 0.78 KCNH2 (0.57) KCNH2KDM1AMAOAMAOBCYP3A4

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 KCNH2 488/4885KDM1A 3576/4885MAOA 2015/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885KDM1A 3329/4885MAOA 2662/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885KDM1A 3329/4885MAOA 2662/4885

“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.