SCHEMBL2305283

SCHEMBL2305283

COCC1OC(C)CN(Cc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PREP P48147 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL16168933 0.80 GRM2 (0.54) GRM2HPGDTSHROPRM1KCNH2
SCHEMBL12703730 0.80 GRM2 (0.54) GRM2HPGDTSHROPRM1KCNH2
SCHEMBL2309554 0.75 GRM2 (0.48) GRM2PREPHPGDTSHR
SCHEMBL31495376 0.74 OPRK1 (0.42) GRM2MEN1KMT2APREPHPGD
SCHEMBL2304816 0.73 MEN1 (0.46) GRM2MEN1KMT2ATSHR
SCHEMBL27858721 0.72 HRH2 (0.39) GRM2SIGMAR1
SCHEMBL6266738 0.71 GRM2 (0.53) GRM2
SCHEMBL6266734 0.71 GRM2 (0.53) GRM2
SCHEMBL2308053 0.71 KDM4E (0.48) SIGMAR1
SCHEMBL2510348 0.71 KDM4E (0.48) SIGMAR1

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
EP-2350077-B1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ENTASIS THERAPEUTICS LTD (GB) 2016-01-27 EP disclosed
US-20150368266-A1 CHEMICAL COMPOUNDS 542 ENTASIS THERAPEUTICS INC. 2015-12-24 US disclosed
US-9040528-B2 Chemical compounds 542 ASTRAZENECA AB (SE) 2015-05-26 US disclosed
US-20140128371-A1 CHEMICAL COMPOUNDS 542 ASTRAZENECA AB (SE) 2014-05-08 US disclosed
US-8658641-B2 Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB (SE) 2014-02-25 US disclosed
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-10-06 US disclosed
EP-2350077-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-08-03 EP disclosed
WO-2010043893-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-04-22 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-20150368266-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 GRM2 4194/4885MEN1 488/4885KMT2A 4283/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC GRM2 4676/4885MEN1 1594/4885KMT2A 3960/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 GRM2 4194/4885MEN1 488/4885KMT2A 4283/4885

“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.