SCHEMBL314845

SCHEMBL314845

CN(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.65
CCR5 P51681 1/20 0.65
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HDAC1 Q13547 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL17555171 0.90 CCR2 (0.63) CCR2CCR5KDM4EMEN1NPC1
SCHEMBL10062787 0.89 CCR2 (0.64) CCR2CCR5KDM4EMEN1NPC1
SCHEMBL3086861 0.89 CCR2 (0.53) CCR2CCR5RAB9AMAPTHDAC1
SCHEMBL3099276 0.89 CCR2 (0.67) CCR2CCR5KDM4EMEN1NPC1
SCHEMBL17571818 0.86 CCR2 (0.66) CCR2CCR5KDM4ENPC1RAB9A
SCHEMBL3088750 0.85 CCR2 (0.66) CCR2CCR5KDM4EMEN1NPC1
SCHEMBL17571927 0.83 CCR2 (0.60) CCR2CCR5KDM4EMEN1NPC1
SCHEMBL17571844 0.82 CCR2 (0.57) CCR2CCR5KDM4EMEN1NPC1
SCHEMBL17571829 0.81 CCR2 (0.57) CCR2CCR5MEN1RAB9AKMT2A
SCHEMBL13885524 0.80 KDM4E (0.67) CCR2CCR5KDM4EMEN1NPC1

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-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 US disclosed
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 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-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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2009055519-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 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 7/4885KDM4E 1925/4885
US-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 CCR2 1/4885CCR5 4/4885KDM4E 3919/4885

“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.