SCHEMBL621706

SCHEMBL621706

CN(Cc1ccc2c(c1)OCCO2)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
BMP1 P13497 1/20 0.50
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
LTA4H P09960 1/20 0.45
MAPT P10636 4/20 0.45
TP53 P04637 4/20 0.44
THRB P10828 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL27035912 0.81 KEAP1 (0.49) GPR119BMP1KEAP1NFE2L2MAPT
SCHEMBL25389253 0.80 GPR119 (0.59) GPR119JAK2JAK1
SCHEMBL17140257 0.80 KEAP1 (0.51) GPR119BMP1KEAP1NFE2L2MAPT
SCHEMBL803527 0.80 JAK2 (0.74) GPR119JAK2JAK1THRB
SCHEMBL11999841 0.80 HSD11B1 (0.44) BMP1LTA4HTP53THRBLMNA
SCHEMBL4319086 0.78 JAK2 (0.57) GPR119JAK2JAK1
SCHEMBL2794497 0.77 UBE2M (0.46) BMP1THRBLMNA
SCHEMBL29913505 0.77 JAK2 (0.56) GPR119JAK2JAK1
SCHEMBL30728148 0.77 JAK2 (0.56) GPR119JAK2JAK1
SCHEMBL13146161 0.77 KEAP1 (0.48) GPR119BMP1KEAP1NFE2L2MAPT

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 GPR119 3105/4885JAK2 3876/4885JAK1 4566/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH GPR119 3098/4885JAK2 4209/4885JAK1 4641/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH GPR119 3098/4885JAK2 4209/4885JAK1 4641/4885

“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.