SCHEMBL547907

SCHEMBL547907

O=C(O)CCC(c1ccc(OC(F)(F)F)cc1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
CHRM4 P08173 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL547997 0.82 CYP1A2 (0.49) POLBCYP1A2CYP2C9HPGDMAPK1
SCHEMBL28714787 0.74 POLB (0.44) EPHX2POLBCYP2C9HPGDKMT2A
SCHEMBL548109 0.74 SLC6A9 (0.49) POLBHPGDLMNASLC6A4MEN1
SCHEMBL2743478 0.72 FFAR4 (0.46) EPHX2CYP2C9
SCHEMBL27647648 0.69 TP53 (0.48) POLBCYP1A2CYP2C9HPGDMAPK1
SCHEMBL3825965 0.69 CYP1A2 (0.58) OPRM1OPRK1CYP1A2CYP2C9HPGD
SCHEMBL584599 0.69 FFAR1 (0.64) LMNA
SCHEMBL12895459 0.69 NPC1 (0.57) EPHX2POLBHPGDMAPK1HRH3
SCHEMBL12836704 0.68 MEN1 (0.53) EPHX2POLBHPGDHRH3MEN1
SCHEMBL29178245 0.68 FNTA (0.47) EPHX2CYP1A2CYP2C9CYP2C19LMNA

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 EPHX2 3610/4885POLB 3688/4885OPRM1 839/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B EPHX2 3610/4885POLB 3688/4885OPRM1 839/4885

“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.