SCHEMBL706101

SCHEMBL706101

CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1CCN1C(=O)COc2ccc(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
RORC P51449 1/20 0.39
UTS2R Q9UKP6 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
AR P10275 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMO O15229 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.35
USP30 Q70CQ3 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL706370 0.91 KCNH2 (0.40) KCNH2RORCUTS2RMEN1KMT2A
SCHEMBL708388 0.91 KCNH2 (0.40) KCNH2RORCUTS2RMEN1KMT2A
SCHEMBL707924 0.88 KCNH2 (0.39) KCNH2RORCUTS2RMEN1KMT2A
SCHEMBL921531 0.87 KCNH2 (0.42) KCNH2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL707682 0.81 KCNH2 (0.64) KCNH2
SCHEMBL708389 0.79 KCNH2 (0.42) KCNH2RORCMEN1KMT2AALDH1A1
SCHEMBL706371 0.79 KCNH2 (0.42) KCNH2RORCMEN1KMT2AALDH1A1
SCHEMBL921877 0.78 KCNH2 (0.39) KCNH2RORCMEN1KMT2AALDH1A1
SCHEMBL2700375 0.78 KCNH2 (0.42) KCNH2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL921241 0.78 KCNH2 (0.42) KCNH2MEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 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 (1 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885RORC 1605/4885UTS2R 2561/4885

“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.