SCHEMBL313476

SCHEMBL313476

C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1)C1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.72
CCR5 P51681 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
Hydrochloric Acid SCHEMBL313399 0.99 CCR2 (0.70) CCR2CCR5TAS1R3TAS1R1MEN1
Iodide SCHEMBL17555097 0.89 CCR2 (0.83) CCR2CCR5
Hydrochloric Acid SCHEMBL2903158 0.89 CCR2 (0.83) CCR2CCR5
SCHEMBL312903 0.83 CCR2 (1.00) CCR2CCR5
SCHEMBL313258 0.83 CCR2 (1.00) CCR2CCR5
Hydrochloric Acid SCHEMBL313523 0.83 CCR2 (0.98) CCR2CCR5
SCHEMBL313817 0.83 CCR2 (0.66) CCR2CCR5MEN1KMT2AJAK2
Iodide SCHEMBL17555086 0.83 CCR2 (0.98) CCR2CCR5
Iodide SCHEMBL17555080 0.83 CCR2 (0.98) CCR2CCR5
Hydrochloric Acid SCHEMBL313708 0.83 CCR2 (0.98) 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 10 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-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
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-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885CCR5 7/4885TAS1R3 2390/4885
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885CCR5 7/4885TAS1R3 2390/4885
US-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 CCR2 1/4885CCR5 4/4885TAS1R3 1126/4885

“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.