SCHEMBL314755

SCHEMBL314755

C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.82
LMNA P02545 1/20 0.54
PTGS1 P23219 1/20 0.54
CCR5 P51681 1/20 0.52
P2RX1 P51575 1/20 0.51

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
Iodide SCHEMBL17555192 0.99 CCR2 (0.80) CCR2LMNAPTGS1CCR5P2RX1
Hydrochloric Acid SCHEMBL313256 0.99 CCR2 (0.80) CCR2LMNAPTGS1CCR5P2RX1
SCHEMBL13148229 0.90 CCR2 (1.00) CCR2CCR5
Hydrochloric Acid SCHEMBL313759 0.89 CCR2 (0.98) CCR2CCR5
Iodide SCHEMBL17555140 0.89 CCR2 (0.98) CCR2CCR5
SCHEMBL13148091 0.88 CCR2 (0.64) CCR2LMNA
Hydrochloric Acid SCHEMBL313403 0.87 CCR2 (0.63) CCR2LMNA
Iodide SCHEMBL17555155 0.87 CCR2 (0.63) CCR2LMNA
SCHEMBL313432 0.84 CCR2 (0.81) CCR2CCR5
Iodide SCHEMBL3075475 0.83 CCR2 (0.79) CCR2CCR5

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 6 patents. 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 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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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 (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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885LMNA 4581/4885PTGS1 1151/4885
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885LMNA 4581/4885PTGS1 1151/4885

“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.