SCHEMBL315327

SCHEMBL315327

[C]1=CCCOc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
HTT P42858 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.36
GAA P10253 1/20 0.32
KEAP1 Q14145 1/20 0.31

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
SCHEMBL276860 0.78 ABCG2 (0.39) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL27636969 0.77 ABCG2 (0.37) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL433176 0.70 ITGB2 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL1450831 0.70 ITGB2 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL338807 0.67 ITGB2 (0.46) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL630370 0.67 ABCG2 (0.31) ITGB2ICAM1ITGALABCG2
SCHEMBL11399163 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11406989 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29997436 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6791411 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP claimed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8168829-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-01 US disclosed
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-7795294-B2 Tetrahydro-2H-indazole pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-14 US disclosed
EP-2220041-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-25 EP disclosed
EP-2212286-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP disclosed
WO-2009055519-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO disclosed
WO-2009055516-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO disclosed
WO-2007095513-A1 TETRAHYDR0-2H-INDAZ0LE DERIVATIVES FOR USE AS CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2007-08-23 WO disclosed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US disclosed
EP-1802602-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-04 EP disclosed
EP-1765803-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-28 EP disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 US disclosed
WO-2006036527-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 WO disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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 (4 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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 ITGB2 2620/4885ICAM1 679/4885ITGAL 2728/4885
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists CCR2, CCR1, CCR5 ITGB2 2590/4885ICAM1 1159/4885ITGAL 2466/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 ITGB2 1115/4885ICAM1 2380/4885ITGAL 2915/4885
US-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 ITGB2 1091/4885ICAM1 932/4885ITGAL 1099/4885

“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.