SCHEMBL4454636

SCHEMBL4454636

Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.67
CCR5 P51681 1/20 0.56
CXCR5 P32302 1/20 0.56
CXCR3 P49682 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.55
ALOX12 P18054 1/20 0.53

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 SCHEMBL2697037 0.99 CCR2 (0.66) CCR2CCR5CXCR5CXCR3ALDH1A1
Iodide SCHEMBL17555074 0.99 CCR2 (0.66) CCR2CCR5CXCR5CXCR3ALDH1A1
SCHEMBL13148348 0.91 ALDH1A1 (0.57) CCR2CXCR5CXCR3ALDH1A1MAPT
SCHEMBL2695793 0.89 CCR2 (0.56) CCR2CCR5CXCR5CXCR3ALDH1A1
Hydrochloric Acid SCHEMBL2907820 0.88 CCR2 (0.55) CCR2CCR5CXCR5CXCR3ALDH1A1
Iodide SCHEMBL17555122 0.88 CCR2 (0.55) CCR2CCR5CXCR5CXCR3ALDH1A1
SCHEMBL13148261 0.81 CCR2 (0.87) CCR2CCR5CXCR5CXCR3
SCHEMBL3076805 0.81 CCR2 (1.00) CCR2CCR5CXCR5CXCR3
Iodide SCHEMBL17555130 0.80 CCR2 (0.85) CCR2CCR5CXCR5CXCR3
Hydrochloric Acid SCHEMBL2907826 0.80 CCR2 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885CCR5 7/4885CXCR5 17/4885

“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.