SCHEMBL705923

SCHEMBL705923

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
CNR2 P34972 3/20 0.45
CNR1 P21554 2/20 0.45
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNE2 O96020 2/20 0.40
CDK4 P11802 2/20 0.40
PRKACA P17612 2/20 0.40
PRKACG P22612 2/20 0.40
PRKACB P22694 2/20 0.40
CCND1 P24385 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CAMK2B Q13554 2/20 0.40
CAMK2G Q13555 2/20 0.40

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
SCHEMBL924661 0.83 CNR2 (0.53) HTR7CNR2CNR1MTNR1AMTNR1B
SCHEMBL707261 0.80 CNR2 (0.43) HTR7CNR2CNR1MTNR1AMTNR1B
SCHEMBL707467 0.79 PLD1 (0.41) CNR2CNR1ACHEHTR2AHTR1A
SCHEMBL4782432 0.76 KCNH2 (0.58) CNR2CNR1KDM4EALDH1A1HSD17B10
SCHEMBL707054 0.76 ADRA1B (0.42) HTR7ACHECCNE2CDK4PRKACA
SCHEMBL4781502 0.75 KCNH2 (0.44) CCNE2CDK4PRKACAPRKACGPRKACB
SCHEMBL706949 0.74 KCNH2 (0.56) HTR7
SCHEMBL709342 0.74 KCNH2 (0.72)
SCHEMBL12002101 0.74 KCNH2 (0.47) ALDH1A1CCNE2CDK4CCND1CCNE1
SCHEMBL1526033 0.73 CNR1 (0.43) CNR2CNR1ALDH1A1CCNE2CDK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
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
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO 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 (3 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 HTR7 4633/4885CNR2 4145/4885CNR1 3678/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK HTR7 4633/4885CNR2 4145/4885CNR1 3678/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK HTR7 4633/4885CNR2 4145/4885CNR1 3678/4885

“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.