SCHEMBL1690247

SCHEMBL1690247

O=C(O)COc1ccc(Cl)cc1-c1cnc(N2CCCCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.58
PTGDR Q13258 4/20 0.48
PTGER2 P43116 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL1690287 0.89 PTGDR2 (0.56) PTGDR2TDP1NPC1KDM4E
SCHEMBL1690265 0.79 PTGDR2 (0.68) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL16199799 0.79 GCGR (0.41)
SCHEMBL1753770 0.78 PTGDR2 (0.70) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL27658715 0.76 IDO1 (0.43) TSHRMAPTNPC1SMN1; SMN2
SCHEMBL1753343 0.76 PTGDR2 (0.64) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL1753408 0.76 PTGDR2 (0.64) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL1753654 0.76 PTGDR2 (0.85) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL12147097 0.75 PTGDR2 (1.00) PTGDR2TDP1TSHRMAPT
SCHEMBL2102664 0.74 PTGDR2 (0.54) PTGDR2PTGDRPTGER2TDP1TSHR

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
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
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 PTGDR2 438/4885PTGDR 343/4885PTGER2 637/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885PTGDR 343/4885PTGER2 637/4885

“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.