SCHEMBL706952

SCHEMBL706952

CC(C)(C)N(C(=O)O)C1CCC(CCN2C(=O)COc3ccc(C#N)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
KMO O15229 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 2/20 0.36
USP30 Q70CQ3 1/20 0.36
CHRM1 P11229 1/20 0.36
PLK1 P53350 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL706951 1.00 KCNH2 (0.43) KCNH2ALDH1A1POLBMAPTKMO
SCHEMBL705187 0.89 KCNH2 (0.53) KCNH2ALDH1A1POLBMAPTKMO
SCHEMBL704856 0.85 KCNH2 (0.44) KCNH2ALDH1A1MAPTKMOTSHR
SCHEMBL704857 0.85 KCNH2 (0.44) KCNH2ALDH1A1MAPTKMOTSHR
SCHEMBL705628 0.84 KCNH2 (0.44) KCNH2ALDH1A1POLBMAPTKMO
SCHEMBL5133517 0.82 KCNH2 (0.51) KCNH2ALDH1A1POLBMAPTKMO
SCHEMBL923759 0.81 MEN1 (0.49) KCNH2POLBMAPTKMOTSHR
SCHEMBL923758 0.81 MEN1 (0.49) KCNH2POLBMAPTKMOTSHR
SCHEMBL707963 0.81 KCNH2 (0.46) KCNH2ALDH1A1POLBMAPTKMO
SCHEMBL704086 0.81 KCNH2 (0.47) KCNH2ALDH1A1POLBMAPTKMO

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 2 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

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 4242/4885ALDH1A1 2130/4885POLB 449/4885

“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.