SCHEMBL2692808

SCHEMBL2692808

C[N+](C)(Cc1ccc(CNC(=O)C2=Cc3c(ccc4ccccc34)OC2)cc1)C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 14/20 0.51
▸ CCR5 P51681 4/20 0.43
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CXCR5 P32302 1/20 0.41
▸ CXCR3 P49682 1/20 0.41

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 SCHEMBL17555098 0.99 CCR2 (0.51) CCR2CCR5TP53MEN1MAPT
Hydrochloric Acid SCHEMBL2900378 0.99 CCR2 (0.51) CCR2CCR5TP53MEN1MAPT
SCHEMBL13148336 0.90 CCR2 (0.64) CCR2CCR5CXCR5CXCR3
Hydrochloric Acid SCHEMBL313873 0.90 CCR2 (0.63) CCR2CCR5CXCR5CXCR3
Iodide SCHEMBL17555094 0.90 CCR2 (0.63) CCR2CCR5CXCR5CXCR3
SCHEMBL13148338 0.82 CCR2 (0.53) CCR2CCR5CXCR5CXCR3
Hydrochloric Acid SCHEMBL2902553 0.82 CCR2 (0.53) CCR2CCR5CXCR5CXCR3
Iodide SCHEMBL5178933 0.82 CCR2 (0.53) CCR2CCR5CXCR5CXCR3
SCHEMBL13148339 0.81 CCR5 (0.53) CCR2CCR5CXCR5CXCR3
Hydrochloric Acid SCHEMBL313568 0.80 CCR5 (0.53) CCR2CCR5CXCR5CXCR3

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 5 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-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 1/4885CCR5 7/4885TP53 2197/4885
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885CCR5 7/4885TP53 2197/4885

“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.

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