SCHEMBL705916

SCHEMBL705916

CC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)ccc3ccc(F)c(F)c32)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
TMEM97 Q5BJF2 2/20 0.35
CCR5 P51681 7/20 0.35
UBE2M P61081 3/20 0.34
DCUN1D1 Q96GG9 3/20 0.34
CCR3 P51677 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL708889 0.85 KCNH2 (0.35)
SCHEMBL707961 0.82 KCNH2 (0.40) OPRM1TMEM97CCR5CCR3
SCHEMBL3100183 0.81 OPRM1 (0.37) OPRM1TMEM97
SCHEMBL707084 0.81 DRD2 (0.42) OPRM1CCR5TACR1
SCHEMBL705075 0.78 KCNH2 (0.36) OPRM1TMEM97UBE2MDCUN1D1CCR3
SCHEMBL922023 0.78 SIGMAR1 (0.40) CCR3
SCHEMBL708897 0.78 KCNH2 (0.37) CCR5
SCHEMBL706977 0.78 KCNH2 (0.40) CCR5
SCHEMBL707605 0.77 SPHK1 (0.36) HTR2A
SCHEMBL706408 0.77 KCNH2 (0.34) OPRM1TMEM97UBE2MDCUN1D1TACR1

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 OPRM1 2772/4885TMEM97 3100/4885CCR5 2739/4885

“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.