SCHEMBL1696158

SCHEMBL1696158

O=C(O)C(Nc1ccccc1)c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.54
F2 P00734 4/20 0.47
F10 P00742 4/20 0.47
PRSS1 P07477 4/20 0.47
F7 P08709 4/20 0.47
PRSS2 P07478 2/20 0.47
F3 P13726 2/20 0.47
PRSS3 P35030 2/20 0.47
CXCR2 P25025 1/20 0.44
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
ACACB O00763 3/20 0.43
ACACA Q13085 2/20 0.43
P4HTM Q9NXG6 1/20 0.41
PPIA P62937 1/20 0.41
LTA4H P09960 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL12073583 1.00 FFAR1 (0.54) FFAR1F2F10PRSS1F7
SCHEMBL1696116 0.83 KMT2A (0.53) F2F10PRSS1F7PRSS2
SCHEMBL16476684 0.83 KMT2A (0.53) F2F10PRSS1F7PRSS2
SCHEMBL1696257 0.78 CHRNA7 (0.46) FFAR1
SCHEMBL16476725 0.78 CHRNA7 (0.46) FFAR1
SCHEMBL1696259 0.78 CHRNA7 (0.46) FFAR1
SCHEMBL1696316 0.76 KMT2A (0.45) FFAR1F2F10PRSS1F7
SCHEMBL16476740 0.76 KMT2A (0.45) FFAR1F2F10PRSS1F7
SCHEMBL14763055 0.74 FFAR1 (0.63) FFAR1CXCR2MEN1PABPC1KMT2A
SCHEMBL14763053 0.74 FFAR1 (0.70) FFAR1CXCR2MEN1PABPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585457-B1 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA (IT) 2015-07-22 EP disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
EP-2585457-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011160918-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 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 (1 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-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM5 FFAR1 471/4885F2 4517/4885F10 4807/4885

“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.