SCHEMBL707641

SCHEMBL707641

CO[C@H]1CN(CCO)CC[C@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
SLC18A3 Q16572 1/20 0.42
MAPK1 P28482 1/20 0.40
OPRM1 P35372 4/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL1525667 1.00 KMT2A (0.42) KMT2AMEN1RAB9ASLC18A3MAPK1
SCHEMBL7296841 1.00 KMT2A (0.42) KMT2AMEN1RAB9ASLC18A3MAPK1
SCHEMBL3358579 0.89 HTR4 (0.42) MAPK1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL3358584 0.86 OPRM1 (0.35) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL7293732 0.84 SLC6A2 (0.40) OPRM1OPRD1OPRK1KDM1A
SCHEMBL7293726 0.84 SLC6A2 (0.40) OPRM1OPRD1OPRK1KDM1A
SCHEMBL7293742 0.84 SLC6A2 (0.40) OPRM1OPRD1OPRK1KDM1A
SCHEMBL8236994 0.83 HTR7 (0.41) OPRM1OPRD1OPRK1SIGMAR1KDM1A
SCHEMBL706372 0.83 KMT2A (0.38) KMT2AMEN1RAB9AOPRM1OPRD1
SCHEMBL13566531 0.82 KDM4E (0.41) KMT2AMEN1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US 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
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US disclosed
EP-0309043-B1 Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides JANSSEN PHARMACEUTICA NV (BE) 1994-11-09 EP disclosed
US-5041454-A Stimulate gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
US-4975439-A Gastrointestinal motility stimulating properties JANSSEN PHARMACEUTICAL N.V. (BE) 1990-12-04 US disclosed
EP-0309043-A2 Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-29 EP 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 (5 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KMT2A 2617/4885MEN1 2572/4885RAB9A 305/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KMT2A 2617/4885MEN1 2572/4885RAB9A 305/4885
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.