SCHEMBL2111489

SCHEMBL2111489

Nc1ccc(-c2cc(C(F)(F)F)ccc2OCc2ccccc2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.61
PTGER1 P34995 3/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
LRRK2 Q5S007 1/20 0.45
MAOB P27338 2/20 0.45

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
SCHEMBL1753667 0.81 PTGDR2 (0.69) PTGDR2
SCHEMBL30427926 0.79 MRGPRX4 (0.72) MRGPRX4
SCHEMBL2749493 0.79 MRGPRX4 (0.81) MRGPRX4MAOB
SCHEMBL632895 0.77 MRGPRX4 (0.57) MRGPRX4MAOB
SCHEMBL6080280 0.76 MRGPRX4 (0.57) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL22469843 0.76 MRGPRX4 (1.00) MRGPRX4
SCHEMBL31568428 0.76 MRGPRX4 (1.00) MRGPRX4
SCHEMBL14055312 0.76 TSHR (0.48) MRGPRX4
SCHEMBL3918382 0.74 HTR2C (0.56) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL656838 0.74 MRGPRX4 (0.50) MRGPRX4RXRARXRBRXRGHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MRGPRX4 461/4885PTGER1 351/4885RXRA 825/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MRGPRX4 461/4885PTGER1 351/4885RXRA 825/4885

“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.