SCHEMBL707117

SCHEMBL707117

COc1ccc2c(=O)n(C)c(=O)n(CCN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
OPRM1 P35372 4/20 0.39
KCNH2 Q12809 1/20 0.38
HTR7 P34969 1/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CCNE2 O96020 2/20 0.36
CDK4 P11802 2/20 0.36

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
SCHEMBL707422 0.87 DRD2 (0.38) OPRM1KCNH2HTR7TACR1
SCHEMBL707943 0.82 KCNH2 (0.51) OPRM1KCNH2
SCHEMBL2797366 0.82 KCNH2 (0.42) OPRM1KCNH2CNR1CNR2ALDH1A1
SCHEMBL921174 0.81 CNR2 (0.46) KCNH2CNR1CNR2
SCHEMBL707261 0.81 CNR2 (0.43) OPRM1HTR7CNR1CNR2EPHX2
SCHEMBL709251 0.80 KCNH2 (0.41) KCNH2
SCHEMBL707472 0.80 KCNH2 (0.55) KCNH2
SCHEMBL9985880 0.76 KCNH2 (0.60) KCNH2
SCHEMBL706817 0.73 CHRM1 (0.56) KCNH2
SCHEMBL705075 0.73 KCNH2 (0.36) OPRM1KCNH2ALDH1A1

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 GRM2 4859/4885OPRM1 2772/4885KCNH2 4242/4885

“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.