SCHEMBL547906

SCHEMBL547906

O=C(O)CCCC1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 17/20 0.59
FFAR4 Q5NUL3 2/20 0.56
CHRM2 P08172 1/20 0.54

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
SCHEMBL547996 0.84 FFAR4 (0.56) CHRM4FFAR4
SCHEMBL12042021 0.83 NOTUM (0.56) CHRM4FFAR4CHRM2
SCHEMBL381806 0.82 NOTUM (0.54) CHRM4FFAR4CHRM2
SCHEMBL17206997 0.82 CHRM4 (0.55) CHRM4CHRM2
SCHEMBL6794719 0.81 FFAR4 (0.51) CHRM4FFAR4CHRM2
SCHEMBL13279361 0.79 CHRM4 (0.55) CHRM4CHRM2
SCHEMBL17033958 0.79 CHRM4 (0.57) CHRM4CHRM2
SCHEMBL12717115 0.79 FFAR4 (0.72) CHRM4FFAR4CHRM2
SCHEMBL13279873 0.78 CHRM4 (0.59) CHRM4CHRM2
SCHEMBL13279129 0.78 CHRM4 (0.54) CHRM4CHRM2

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
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS DE CORTE BART 2011-04-21 US disclosed
US-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US disclosed
EP-1718635-A1 PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-08 EP disclosed
WO-2005082889-A1 PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-09 WO disclosed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP disclosed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 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 (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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B CHRM4 2224/4885FFAR4 1356/4885CHRM2 3220/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B CHRM4 2224/4885FFAR4 1356/4885CHRM2 3220/4885

“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.