SCHEMBL313432

SCHEMBL313432

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

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.81
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
CCR5 P51681 1/20 0.55
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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 SCHEMBL313511 0.99 CCR2 (0.79) CCR2RAB9AGAAHTTCCR5
Iodide SCHEMBL3075475 0.99 CCR2 (0.79) CCR2RAB9AGAAHTTCCR5
SCHEMBL13148149 0.89 CCR2 (1.00) CCR2CCR5
Hydrochloric Acid SCHEMBL2906546 0.89 CCR2 (0.98) CCR2CCR5
SCHEMBL2697394 0.87 CCR2 (0.62) CCR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13148270 0.86 CCR2 (0.68) CCR2CCR5
Iodide SCHEMBL5179621 0.86 CCR2 (0.61) CCR2RAB9ANPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL314961 0.86 CCR2 (0.61) CCR2RAB9ANPC1SMN1; SMN2MEN1
Iodide SCHEMBL17555087 0.85 CCR2 (0.67) CCR2CCR5
Hydrochloric Acid SCHEMBL313758 0.85 CCR2 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885RAB9A 3203/4885GAA 4650/4885

“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.