SCHEMBL707084

SCHEMBL707084

CC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)ccc3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
OPRM1 P35372 7/20 0.41
TACR1 P25103 3/20 0.41
CCR5 P51681 1/20 0.39
KCNH2 Q12809 2/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
OPRL1 P41146 1/20 0.36
MCHR1 Q99705 1/20 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
SCHEMBL707961 0.87 KCNH2 (0.40) OPRM1CCR5KCNH2
SCHEMBL706977 0.87 KCNH2 (0.40) CCR5KCNH2
SCHEMBL707943 0.85 KCNH2 (0.51) OPRM1KCNH2
SCHEMBL706182 0.85 KCNH2 (0.55) CCR5KCNH2
SCHEMBL9986091 0.84 KCNH2 (0.39) OPRM1TACR1KCNH2MCHR1
SCHEMBL707362 0.81 KCNH2 (0.41) KCNH2
SCHEMBL705916 0.81 OPRM1 (0.36) OPRM1TACR1CCR5
SCHEMBL708897 0.81 KCNH2 (0.37) CCR5KCNH2
SCHEMBL705075 0.79 KCNH2 (0.36) DRD2OPRM1KCNH2
SCHEMBL2798206 0.79 HTR3E (0.45) OPRM1OPRL1

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 DRD2 3243/4885DRD3 2567/4885OPRM1 2772/4885

“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.