SCHEMBL7554497

SCHEMBL7554497

CN(CCN1CCCCC1)c1cccc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.54
HRH3 Q9Y5N1 3/20 0.44
AURKA O14965 1/20 0.42
ACHE P22303 6/20 0.41
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
HTR7 P34969 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIN2B Q13224 1/20 0.35
KIT P10721 1/20 0.35
ACP1 P24666 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL7549559 0.89 CCR2 (0.62) CCR2HRH3AURKAACHEACP1
SCHEMBL7160102 0.86 CCR2 (0.52) CCR2HRH3ACHEADORA2AADORA1
SCHEMBL7549699 0.85 CCR2 (0.60) CCR2HRH3ACHECYP1A2CYP2D6
SCHEMBL7550216 0.85 CCR2 (0.41) CCR2HRH3AURKAACHEADORA2A
SCHEMBL7554558 0.85 AURKA (0.61) CCR2HRH3AURKAACHEADORA2A
SCHEMBL7549560 0.84 CCR2 (0.56) CCR2HRH3AURKAACHEHTR7
SCHEMBL7554509 0.84 CCR2 (0.56) CCR2HRH3AURKAACHEADORA2A
SCHEMBL7548839 0.81 CCR2 (0.81) CCR2HRH3ACHECYP1A2CYP2D6
SCHEMBL7547688 0.80 CCR2 (0.64) CCR2ACHEMCHR1
SCHEMBL7553586 0.80 CCR2 (0.64) CCR2HRH3ACHEHTR7GRIN2B

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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 CCR2 2/4885HRH3 165/4885AURKA 4675/4885

“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.