SCHEMBL705628

SCHEMBL705628

CC(C)(C)N(C(=O)O)C1CCN(CCN2C(=O)COc3ccc(C#N)cc32)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 2/20 0.39
KMO O15229 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP30 Q70CQ3 1/20 0.35
CYP3A4 P08684 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL705187 0.89 KCNH2 (0.53) KCNH2ALDH1A1KMOPOLBMAPT
SCHEMBL707698 0.86 KCNH2 (0.46) KCNH2ALDH1A1KMOPOLBMAPT
SCHEMBL706951 0.84 KCNH2 (0.43) KCNH2ALDH1A1KMOPOLBMAPT
SCHEMBL706952 0.84 KCNH2 (0.43) KCNH2ALDH1A1KMOPOLBMAPT
SCHEMBL923797 0.81 KCNH2 (0.53) KCNH2KMOCHRM1TSHRHTT
SCHEMBL707963 0.80 KCNH2 (0.46) KCNH2ALDH1A1KMOPOLBMAPT
Trifluoroacetic Acid SCHEMBL705792 0.80 KCNH2 (0.43) KCNH2ALDH1A1KMOPOLBMAPT
SCHEMBL705942 0.79 KCNH2 (0.49) KCNH2ALDH1A1KMOPOLBMAPT
SCHEMBL709161 0.77 KCNH2 (0.51) KCNH2ALDH1A1KMOPOLBCHRM1
SCHEMBL705652 0.76 TSHR (0.53) ALDH1A1POLBMAPTCHRM1TSHR

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 2130/4885KMO 2826/4885

“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.