SCHEMBL10897064

SCHEMBL10897064

CC(=O)Cc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 2/20 0.67
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LTA4H P09960 1/20 0.61
ACACB O00763 1/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
MAPK1 P28482 2/20 0.56
CYP1A2 P05177 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
HTR2A P28223 1/20 0.56
SCN1A P35498 1/20 0.56
HTR2B P41595 1/20 0.56
KCNH2 Q12809 1/20 0.56
SCN2A Q99250 1/20 0.56

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
SCHEMBL3569060 0.88 LTA4H (0.67) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL10897426 0.87 PSMB1 (0.63) KDM4ELTA4HHRH3
SCHEMBL874263 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL7400266 0.87 GAA (0.62) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL1395845 0.86 LTA4H (0.61) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL11154787 0.86 PSMB1 (0.66) KDM4ELTA4HACACBHRH3
SCHEMBL4092312 0.86 PSMB1 (0.66) KDM4ELTA4HACACBHRH3
SCHEMBL15160748 0.86 GAA (0.60) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL28502559 0.84 NPC1 (0.67) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL28504764 0.84 NPC1 (0.60) ALDH1A1KDM4EGAASMN1; SMN2LTA4H

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US disclosed
EP-0070133-B1 SECONDARY PHENYLETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATION BEECHAM GROUP PLC (GB) 1986-05-14 EP disclosed
EP-0070133-A2 Secondary phenylethanol amines, processes for their preparation and their pharmaceutical application BEECHAM GROUP PLC (GB) 1983-01-19 EP 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885KDM4E 1074/4885GAA 24/4885
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 ALDH1A1 815/4885KDM4E 2468/4885GAA 2116/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885KDM4E 1074/4885GAA 24/4885

“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.