SCHEMBL1753405

SCHEMBL1753405

Cc1nc(N2CCOCC2)ncc1-c1cc(Cl)ccc1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MCHR1 Q99705 1/20 0.47
AOC3 Q16853 2/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.46
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
APEX1 P27695 1/20 0.43
NRP1 O14786 1/20 0.43

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
SCHEMBL5762473 0.86 AOC3 (0.46) KDM4ENPSR1MCHR1AOC3TSHR
SCHEMBL1690287 0.85 PTGDR2 (0.56) KDM4EAOC3PTGDR2NPC1PPARD
SCHEMBL5762469 0.84 AOC3 (0.45) KDM4ENPSR1MCHR1AOC3TSHR
SCHEMBL2111718 0.82 AOC3 (0.45) KDM4ENPSR1MCHR1AOC3TSHR
SCHEMBL27658660 0.80 CNR2 (0.46) KDM4EAOC3TSHRNPC1MAPT
SCHEMBL1690261 0.77 PTGDR2 (0.52) MCHR1PTGDR2
SCHEMBL2113030 0.76 PTGDR2 (0.64) PTGDR2TSHR
SCHEMBL1690393 0.75 PTGDR2 (0.49) PTGDR2
SCHEMBL1690247 0.74 PTGDR2 (0.58) KDM4EPTGDR2TSHRNPC1LMNA
SCHEMBL12147152 0.72 PTGDR2 (0.73) PTGDR2NPC1MEN1KMT2AAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US claimed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US claimed
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 KDM4E 1696/4885NPSR1 464/4885MCHR1 919/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 KDM4E 1696/4885NPSR1 464/4885MCHR1 919/4885

“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.