SCHEMBL707261

SCHEMBL707261

COc1ccc2c(=O)ccn(CCN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
HTR7 P34969 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
OPRM1 P35372 5/20 0.38
EPHX2 P34913 1/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
CCNE2 O96020 2/20 0.36
CDK4 P11802 2/20 0.36
PRKACA P17612 2/20 0.36
PRKACG P22612 2/20 0.36
PRKACB P22694 2/20 0.36
CCND1 P24385 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CAMK2B Q13554 2/20 0.36
CAMK2G Q13555 2/20 0.36
CAMK2D Q13557 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
SCHEMBL703849 0.84 NR3C1 (0.40) CNR2CNR1OPRM1CCR5
SCHEMBL924661 0.81 CNR2 (0.53) CNR2CNR1HTR7MTNR1AMTNR1B
SCHEMBL707117 0.81 GRM2 (0.39) CNR2CNR1HTR7OPRM1EPHX2
SCHEMBL705923 0.80 HTR7 (0.47) CNR2CNR1HTR7MTNR1AMTNR1B
SCHEMBL707943 0.79 KCNH2 (0.51) OPRM1
SCHEMBL2797366 0.77 KCNH2 (0.42) CNR2CNR1OPRM1EPHX2
SCHEMBL707472 0.77 KCNH2 (0.55)
SCHEMBL709251 0.76 KCNH2 (0.41) MTNR1AMTNR1B
SCHEMBL10893210 0.74 CHRM2 (0.56) OPRM1ACHE
SCHEMBL706817 0.74 CHRM1 (0.56)

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 CNR2 4145/4885CNR1 3678/4885HTR7 4633/4885

“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.