SCHEMBL707384

SCHEMBL707384

CC(C)(C)N(C(=O)O)C1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
CCR5 P51681 2/20 0.37
OPRM1 P35372 8/20 0.36
KCNH2 Q12809 3/20 0.34
SLC22A1 O15245 1/20 0.34
NR1I2 O75469 1/20 0.34
ABCB1 P08183 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
MAOA P21397 1/20 0.34
DRD4 P21917 1/20 0.34
MAOB P27338 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34
OPRD1 P41143 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
SCHEMBL3839394 0.86 TP53 (0.37) CCR5OPRM1KCNH2SLC22A1NR1I2
SCHEMBL3888064 0.86 GNAI3 (0.38) CCR5OPRM1KCNH2SLC22A1NR1I2
SCHEMBL17095965 0.86 OPRM1 (0.39) CCR5OPRM1KCNH2SLC22A1NR1I2
SCHEMBL1305394 0.83 SMN1; SMN2 (0.44) OPRM1CHRM3SIGMAR1HRH3
SCHEMBL20377504 0.82 ALDH1A1 (0.41) MCHR1HRH3
SCHEMBL20377502 0.82 ALDH1A1 (0.41) MCHR1HRH3
SCHEMBL2002141 0.82 ALDH1A1 (0.42) CCR5OPRM1
SCHEMBL1305914 0.81 KDM4E (0.36) CHRM1CHRM3
SCHEMBL28851436 0.81 UBE2M (0.38) DRD2HRH1SIGMAR1
SCHEMBL17095677 0.79 OPRM1 (0.40) CCR5OPRM1KCNH2

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 5 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
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 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 (2 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 SLC18A3 4796/4885CCR5 2739/4885OPRM1 2772/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK SLC18A3 4796/4885CCR5 2739/4885OPRM1 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.