SCHEMBL734245

SCHEMBL734245

COCCC1CCC(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.34
SGPL1 O95470 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL9998106 0.88 NAAA (0.37) SGPL1S1PR1
SCHEMBL25738193 0.79 ALDH1A1 (0.30)
SCHEMBL127248 0.78
SCHEMBL7639721 0.78 TRIM24 (0.37)
SCHEMBL8666468 0.77 NAAA (0.34) S1PR1
SCHEMBL8666465 0.77 NAAA (0.34) S1PR1
SCHEMBL337579 0.77 PRKACA (0.33)
SCHEMBL731957 0.76 THRB (0.40) SGPL1S1PR1
SCHEMBL20745104 0.76 ALOX5 (0.34)
SCHEMBL8285758 0.76 TSHR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
US-8138119-B2 Alkoxyalkyl spirocyclic tetramic acids and tetronic acids BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8138119-B2 Alkoxyalkyl spirocyclic tetramic acids and tetronic acids BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
WO-2007048545-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-05-03 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 (3 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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 AKR1C3 118/4885SGPL1 2322/4885S1PR1 273/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 AKR1C3 118/4885SGPL1 2322/4885S1PR1 273/4885
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids DDT, TBCD, TBCA AKR1C3 175/4885SGPL1 1119/4885S1PR1 524/4885

“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.