SCHEMBL707246

SCHEMBL707246

CC1CC(N(Cc2ccccc2)Cc2ccccc2)CCN1CCO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 1/20 0.44
CCR5 P51681 1/20 0.41
OPRM1 P35372 7/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL707530 0.81 KMT2A (0.40) KMT2AMEN1RAB9ACCR5OPRM1
SCHEMBL29191934 0.74 POLB (0.43) KMT2AMEN1RAB9ACCR5OPRM1
SCHEMBL12730900 0.74 KMT2A (0.58) KMT2AMEN1RAB9ACCR5OPRM1
SCHEMBL706908 0.73 OPRM1 (0.46) KMT2AMEN1RAB9ACCR5OPRM1
SCHEMBL24423758 0.71 KMT2A (0.52) KMT2AMEN1RAB9ACCR5OPRM1
SCHEMBL14795012 0.70 YTHDC1 (0.46) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL27987897 0.70 YTHDC1 (0.46) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL23583787 0.70 YTHDC1 (0.46) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL28158182 0.69 SLC6A2 (0.44) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL12468294 0.69 SLC18A3 (0.44) KMT2AMEN1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101243068-B Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB 2012-08-08 CN disclosed
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
CN-101243068-A Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2008-08-13 CN 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 KMT2A 3561/4885MEN1 2771/4885RAB9A 2330/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KMT2A 3561/4885MEN1 2771/4885RAB9A 2330/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KMT2A 3561/4885MEN1 2771/4885RAB9A 2330/4885

“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.